SCHEMBL321694

SCHEMBL321694

Clc1cccc2[nH]c[c]c12

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.41
GAA P10253 1/20 0.37
PSMB8 P28062 5/20 0.35
NOS1 P29475 1/20 0.35
RHEB Q15382 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2A6 P11509 1/20 0.33
AHR P35869 1/20 0.33
RARG P13631 1/20 0.33
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
NR4A2 P43354 1/20 0.31
DAO P14920 1/20 0.31
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31
DYRK1A Q13627 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1966793 0.74 FFAR1 (0.41) GPR84DAOCA12CA9
SCHEMBL721649 0.74 HTR2C (0.37) GAALMNADAOCA12
SCHEMBL207906 0.71 HTR1A (0.31)
SCHEMBL27479367 0.68 HTR2C (0.34)
SCHEMBL3928782 0.68 GPR84 (0.36) GPR84NR4A2
SCHEMBL3833231 0.67 AHR (0.31) AHR
SCHEMBL4478128 0.65 AHR (0.42) GPR84PSMB8NOS1CYP1A2CYP2A6
SCHEMBL7289576 0.65 PSMB8 (0.41) GPR84GAAPSMB8NOS1RHEB
SCHEMBL558395 0.64 NOS1 (0.42) GPR84GAAPSMB8NOS1CYP1A2
SCHEMBL7861345 0.63 PSMB8 (0.37) GPR84GAAPSMB8NOS1RHEB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 92 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023244554-A1 CYCLIC PEPTIDES FOR TRAPPING INTERLEUKIN-1 BETA MERCK SHARP & DOHME LLC (US) 2023-12-21 WO claimed
US-20230406885-A1 CYCLIC PEPTIDES FOR TRAPPING INTERLEUKIN-1 BETA MERCK SHARP & DOHME LLC (US) 2023-12-21 US claimed
EP-0958287-B2 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2008-04-09 EP claimed
EP-1905762-A1 PYRAZOLONE DERIVATIVE Genecare Research Institute Co., Ltd (JP) 2008-04-02 EP claimed
EP-1900728-A1 PHARMACEUTICAL COMPOSITION COMPRISING PYRAZOLONE DERIVATIVE Genecare Research Institute Co., Ltd (JP) 2008-03-19 EP claimed
US-7323488-B2 Chromogenic enzyme substrates BURTON MICHAEL 2008-01-29 US claimed
EP-1436411-B1 CHROMOGENIC ENZYME SUBSTRATES AND METHOD FOR DETECTING BETA-D-RIBOFURANOSIDASE ACTIVITY BURTON MICHAEL (GB) 2005-12-14 EP claimed
US-20050124556-A1 Chromogenic enzyme substrates BURTON MICHAEL (GB) 2005-06-09 US claimed
EP-1441719-A1 N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-08-04 EP claimed
EP-1438044-A1 BIS-HETEROARYL ALKANES AS THERAPEUTIC AGENTS Transtech Pharma, Inc. (US) 2004-07-21 EP claimed
EP-1436411-A2 CHROMOGENIC ENZYME SUBSTRATES AND METHOD FOR DETECTING BETA-D-RIBOFURANOSIDASE ACTIVITY Burton, Michael (GB) 2004-07-14 EP claimed
US-20030130335-A1 Bis-Heteroaryl alkanes as therapeutic agents TRANSTECH PHARMA, LLC 2003-07-10 US claimed
WO-2003037327-A1 N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS F. HOFFMANN-LA-ROCHE AG (CH) 2003-05-08 WO claimed
WO-2003035896-A2 CHROMOGENIC ENZYME SUBSTRATES AND METHOD FOR DETECTING BETA-D-RIBOFURANOSIDASE ACTIVITY BURTON MICHAEL (GB) 2003-05-01 WO claimed
WO-2003032982-A1 BIS-HETEROARYL ALKANES AS THERAPEUTIC AGENTS TRANSTECH PHARMA, INC. (US) 2003-04-24 WO claimed
EP-0958287-B1 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2002-09-11 EP claimed
US-6143744-A Sulfamide-metalloprotease inhibitors SYNTEX (U.S.A.) INC. (US) 2000-11-07 US claimed
EP-0958287-A1 SULFAMIDE-METALLOPROTEASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 1999-11-24 EP claimed
WO-1998032748-A1 SULFAMIDE-METALLOPROTEASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 1998-07-30 WO claimed
CN-117363685-A Quick pathogen drug sensitivity analysis method without inoculation effect 浙江大学 2024-01-09 CN disclosed
WO-2023244554-A1 CYCLIC PEPTIDES FOR TRAPPING INTERLEUKIN-1 BETA MERCK SHARP & DOHME LLC (US) 2023-12-21 WO disclosed
US-20230406885-A1 CYCLIC PEPTIDES FOR TRAPPING INTERLEUKIN-1 BETA MERCK SHARP & DOHME LLC (US) 2023-12-21 US disclosed
US-10806715-B2 Gold nanoparticle based formulation for use in cancer therapy COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2020-10-20 US disclosed
EP-3031928-B1 QUICK METHOD FOR DETECTING ENZYMES AND MICRO-ORGANISMS BIO RAD INNOVATIONS (FR) 2019-11-20 EP disclosed
US-20190240186-A1 GOLD NANOPARTICLE BASED FORMULATION FOR USE IN CANCER THERAPY COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2019-08-08 US disclosed
EP-2863903-B1 A SYNERGISTIC PHARMACEUTICAL COMPOSITION USEFUL FOR THE TREATMENT OF LUNG CANCER COUNCIL SCIENT IND RES (IN) 2018-07-18 EP disclosed
CN-106661581-A Novel SAMDORI2 gene and use thereof 延康生物股份有限公司 2017-05-10 CN disclosed
US-9622987-B2 Synergistic pharmaceutical composition useful for the treatment of lung cancer COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2017-04-18 US disclosed
EP-3031928-A1 QUICK METHOD FOR DETECTING ENZYMES AND MICRO-ORGANISMS Bio-Rad Innovations (FR) 2016-06-15 EP disclosed
EP-2542688-B1 QUICK METHOD FOR DETECTING ENZYMES AND MICRO-ORGANISMS BIO RAD INNOVATIONS (FR) 2016-05-11 EP disclosed
US-20150328170-A1 SYNERGISTIC PHARMACEUTICAL COMPOSITION USEFUL FOR THE TREATMENT OF LUNG CANCER VISVA-BHARATI (IN) 2015-11-19 US disclosed
US-20150211044-A1 QUICK METHOD FOR DETECTING ENYZMES AND MICROORGANISMS BIO-RAD EUROPE GMBH (CH) 2015-07-30 US disclosed
EP-1976833-B1 HETEROCYCLE SUBSTITUTED AMIDE AND SULFUR AMIDE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS MSD ITALIA SRL (IT) 2015-07-29 EP disclosed
EP-2863903-A1 A SYNERGISTIC PHARMACEUTICAL COMPOSITION USEFUL FOR THE TREATMENT OF LUNG CANCER Council of Scientific & Industrial Research (IN) 2015-04-29 EP disclosed
US-9012167-B2 Quick method for detecting enzymes and microorganisms BIO-RAD INNOVATIONS (FR) 2015-04-21 US disclosed
EP-1828171-B1 HETEROCYCLE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ANGELETTI P IST RICHERCHE BIO (IT) 2014-03-12 EP disclosed
WO-2014002104-A1 A SYNERGISTIC PHARMACEUTICAL COMPOSITION USEFUL FOR THE TREATMENT OF LUNG CANCER COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-01-03 WO disclosed
EP-2590646-A1 METHOD FOR INHIBITION OF NF-KB GENE EXPRESSION Council of Scientific & Industrial Research (IN) 2013-05-15 EP disclosed
US-20130089883-A1 QUICK METHOD FOR DETECTING ENYZMES AND MICROORANISMS BIO-RAD INNOVATIONS (FR) 2013-04-11 US disclosed
EP-2542688-A1 QUICK METHOD FOR DETECTING ENZYMES AND MICRO-ORGANISMS Bio-Rad Innovations (FR) 2013-01-09 EP disclosed
US-20120225449-A1 Method and appraratus utilizing enzyme substrates producing slow diffusing fluorescent product appearances and chromogens, and use in combination with fast diffusing product appearances ROTH GEOFFREY N (US) 2012-09-06 US disclosed
WO-2012004653-A1 METHOD FOR INHIBITION OF NF-KB GENE EXPRESSION COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2012-01-12 WO disclosed
US-8080573-B2 Heterocycle substituted amide and sulfur amide derivatives as histone deacetylase (hdac) inhibitors ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-12-20 US disclosed
WO-2011107703-A1 QUICK METHOD FOR DETECTING ENZYMES AND MICRO-ORGANISMS BIO-RAD PASTEUR (FR) 2011-09-09 WO disclosed
CN-101115742-B Heterocycle derivatives as histone deacetylase (hdac) inhibitors ANGELETTI P IST RICHERCHE BIO 2011-06-22 CN disclosed
US-7863294-B2 Heterocycle derivatives as histone deacetylase (HDAC) inhibitors INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-01-04 US disclosed
US-20090156619-A1 Heterocycle Substituted Amide and Sulfur Amide Derivatives as Histone Deacetylase (HDAC) Inhibitors MSD ITALIA S.R.L. (IT) 2009-06-18 US disclosed
US-7524673-B2 Biological soil detector 3M INNOVATIVE PROPERTIES COMPANY (US) 2009-04-28 US disclosed
US-7521454-B2 Adenine derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-04-21 US disclosed
US-20090048228-A1 Heterocycle Derivatives As Histone Deacetylase (Hdac) Inhibitors MSD ITALIA S.R.L. (IT) 2009-02-19 US disclosed
EP-1976833-A2 HETEROCYCLE SUBSTITUTED AMIDE AND SULFUR AMIDE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2008-10-08 EP disclosed
EP-1386923-B1 NOVEL ADENINE DERIVATIVES DAINIPPON SUMITOMO PHARMA CO (JP) 2008-08-13 EP disclosed
EP-0958287-B2 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2008-04-09 EP disclosed
EP-1905762-A1 PYRAZOLONE DERIVATIVE Genecare Research Institute Co., Ltd (JP) 2008-04-02 EP disclosed
EP-1900728-A1 PHARMACEUTICAL COMPOSITION COMPRISING PYRAZOLONE DERIVATIVE Genecare Research Institute Co., Ltd (JP) 2008-03-19 EP disclosed
CN-101115742-A Heterocycle derivatives as histone deacetylase (hdac) inhibitors ANGELETTI P IST RICHERCHE BIO (IT) 2008-01-30 CN disclosed
US-7323488-B2 Chromogenic enzyme substrates BURTON MICHAEL 2008-01-29 US disclosed
EP-1828171-A2 HETEROCYCLE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2007-09-05 EP disclosed
WO-2007052073-A2 HETEROCYCLE SUBSTITUTED AMIDE AND SULFUR AMIDE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-05-10 WO disclosed
US-20070037832-A1 2-butylamino-8-hydroxy-9-(6-methyl-3-pyridylmethyl)adenine; interferon inducing activity; antiviral, antiallergic agent; immune response modulator; hepatitis B and C, asthma, atopic dermatitis DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-02-15 US disclosed
US-7157465-B2 Adenine derivatives DAINIPPON SIMITOMO PHARMA CO., LTD. (JP) 2007-01-02 US disclosed
WO-2006061638-A2 HETEROCYCLE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2006-06-15 WO disclosed
US-20060128784-A1 Bis-heteroaryl alkanes as therapeutic agents TRANSTECH PHARMA (US) 2006-06-15 US disclosed
CN-1250548-C Novel adenine derivatives SUMITOMO PHARMA (JP) 2006-04-12 CN disclosed
US-7022730-B2 Bis-heteroaryl alkanes as therapeutic agents TRANSTECH PHARMA, INC. (US) 2006-04-04 US disclosed
EP-1436411-B1 CHROMOGENIC ENZYME SUBSTRATES AND METHOD FOR DETECTING BETA-D-RIBOFURANOSIDASE ACTIVITY BURTON MICHAEL (GB) 2005-12-14 EP disclosed
US-20050124556-A1 Chromogenic enzyme substrates BURTON MICHAEL (GB) 2005-06-09 US disclosed
WO-2004074336-A1 NOVEL CATIONIC COPOLYMERS, USE THEREOF FOR THE VECTORISATION OF BIOMOLECULES AND SYNTHETIC INTERMEDIATES FOR THE SAME HALISOL (FR) 2004-09-02 WO disclosed
EP-1441719-A1 N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-08-04 EP disclosed
EP-1438044-A1 BIS-HETEROARYL ALKANES AS THERAPEUTIC AGENTS Transtech Pharma, Inc. (US) 2004-07-21 EP disclosed
EP-1436411-A2 CHROMOGENIC ENZYME SUBSTRATES AND METHOD FOR DETECTING BETA-D-RIBOFURANOSIDASE ACTIVITY Burton, Michael (GB) 2004-07-14 EP disclosed
CN-1512992-A Novel adenine derivatives ס����ҩ��ʽ���� 2004-07-14 CN disclosed
US-20040132748-A1 Novel adenne derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2004-07-08 US disclosed
EP-1386923-A1 NOVEL ADENINE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-02-04 EP disclosed
US-20030130335-A1 Bis-Heteroaryl alkanes as therapeutic agents TRANSTECH PHARMA, LLC 2003-07-10 US disclosed
WO-2003037327-A1 N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS F. HOFFMANN-LA-ROCHE AG (CH) 2003-05-08 WO disclosed
EP-0897428-A4 TEST MEDIA AND QUANTITATIVE METHOD FOR IDENTIFICATION AND DIFFERENTIATION OF BIOLOGICAL MATERIALS IN A TEST SAMPLE RCR SCIENT INC (US) 2003-05-07 EP disclosed
WO-2003035896-A2 CHROMOGENIC ENZYME SUBSTRATES AND METHOD FOR DETECTING BETA-D-RIBOFURANOSIDASE ACTIVITY BURTON MICHAEL (GB) 2003-05-01 WO disclosed
WO-2003032982-A1 BIS-HETEROARYL ALKANES AS THERAPEUTIC AGENTS TRANSTECH PHARMA, INC. (US) 2003-04-24 WO disclosed
EP-0958287-B1 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2002-09-11 EP disclosed
US-20020102724-A1 Novel hematopoietic genes and polypeptides MOUNT SINAI HOSPITAL (CA) 2002-08-01 US disclosed
US-6376506-B1 REACTING SULFAMOYL OXAZOLIDONE WITH (1,2,3,4)-TETRAHYDRO-BETA-CARBOLINE TO FORM INHIBITOR; USED TO TREAT ARTHRITIS, OSTEOPOROSIS, PERIODONTAL DISEASE, CARDIOVASCULAR DISEASES, MULTIPLE SCLEROSIS, AND TUMORS SYNTEX (U.S.A.) LLC 2002-04-23 US disclosed
US-6143744-A Sulfamide-metalloprotease inhibitors SYNTEX (U.S.A.) INC. (US) 2000-11-07 US disclosed
US-6130220-A ENZYME INHIBITORS SYNTEX (USA) INC. (US) 2000-10-10 US disclosed
WO-2000049145-A2 HEMATOPOIETIC GENES HZF AND HHL AND POLYPEPTIDES ENCODED THEREOF MOUNT SINAI HOSPITAL (CA) 2000-08-24 WO disclosed
EP-1011735-A1 METHOD OF $i(IN VIVO) TRANSFORMATION UTILIZING LIPID VEHICLES PROMEGA CORPORATION (US) 2000-06-28 EP disclosed
US-5998412-A ANTIARTHRITIC AGENTS; OSTEOPOROSIS SYNTEX (U.S.A.) INC. (US) 1999-12-07 US disclosed
EP-0958287-A1 SULFAMIDE-METALLOPROTEASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 1999-11-24 EP disclosed
WO-1999012575-A1 METHOD OF IN VIVO TRANSFORMATION UTILIZING LIPID VEHICLES PROMEGA CORPORATION (US) 1999-03-18 WO disclosed
EP-0897428-A1 TEST MEDIA AND QUANTITATIVE METHOD FOR IDENTIFICATION AND DIFFERENTIATION OF BIOLOGICAL MATERIALS IN A TEST SAMPLE RCR Scientific, Inc. (US) 1999-02-24 EP disclosed
WO-1998032748-A1 SULFAMIDE-METALLOPROTEASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 1998-07-30 WO disclosed
WO-1997036001-A1 TEST MEDIA AND QUANTITATIVE METHOD FOR IDENTIFICATION AND DIFFERENTIATION OF BIOLOGICAL MATERIALS IN A TEST SAMPLE RCR SCIENTIFIC, INC. (US) 1997-10-02 WO disclosed
WO-1997036001-A1 TEST MEDIA AND QUANTITATIVE METHOD FOR IDENTIFICATION AND DIFFERENTIATION OF BIOLOGICAL MATERIALS IN A TEST SAMPLE RCR SCIENTIFIC, INC. (US) 1997-10-02 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230406885-A1 CYCLIC PEPTIDES FOR TRAPPING INTERLEUKIN-1 BETA IL1A, IL1B, IL1R1 GPR84 1152/4885GAA 2501/4885PSMB8 1293/4885
US-20090048228-A1 Heterocycle Derivatives As Histone Deacetylase (Hdac) Inhibitors HDAC1, HDAC5, HDAC11 GPR84 3376/4885GAA 456/4885PSMB8 1667/4885
US-20050124556-A1 Chromogenic enzyme substrates DCXR, MGAM, IDE GPR84 4115/4885GAA 66/4885PSMB8 3578/4885
US-20060128784-A1 Bis-heteroaryl alkanes as therapeutic agents PTPRG, PTPRS, PTPRJ GPR84 725/4885GAA 107/4885PSMB8 1353/4885
US-20040132748-A1 Novel adenne derivatives IRF3, IFNAR1, STING1 GPR84 1164/4885GAA 3040/4885PSMB8 1700/4885
US-20090156619-A1 Heterocycle Substituted Amide and Sulfur Amide Derivatives as Histone Deacetylase (HDAC) Inhibitors HDAC1, HDAC6, HDAC11 GPR84 3759/4885GAA 705/4885PSMB8 1215/4885
US-20030130335-A1 Bis-Heteroaryl alkanes as therapeutic agents PTPRG, PTPRS, PTPRJ GPR84 725/4885GAA 107/4885PSMB8 1353/4885
US-20070037832-A1 2-butylamino-8-hydroxy-9-(6-methyl-3-pyridylmethyl)adenine; interferon inducing activity; antiviral, antiallergic agent; immune response modulator; hepatitis B and C, asthma, atopic dermatitis IRF3, IFNAR1, IFNG GPR84 1403/4885GAA 4139/4885PSMB8 591/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.