SCHEMBL5859293

SCHEMBL5859293

COc1cc(C)c(Br)cc1C

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TAAR1 Q96RJ0 1/20 0.45
MAPT P10636 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
NQO2 P16083 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
POLB P06746 2/20 0.43
ALDH1A1 P00352 1/20 0.41
PRNP P04156 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALOX5 P09917 1/20 0.40
PTGS2 P35354 1/20 0.40
GAA P10253 1/20 0.39
GFER P55789 1/20 0.39

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
SCHEMBL20836401 0.90 MAPT (0.50) TSHRSMN1; SMN2TAAR1MAPTNPSR1
SCHEMBL31483694 0.90 MAPT (0.50) TSHRSMN1; SMN2TAAR1MAPTNPSR1
SCHEMBL16167828 0.87 L3MBTL1 (0.56) SMN1; SMN2TAAR1MAPTNPSR1NQO2
SCHEMBL1505362 0.87 MAPT (0.52) TSHRSMN1; SMN2TAAR1MAPTNPSR1
SCHEMBL10122740 0.85 TSHR (0.47) TSHRSMN1; SMN2TAAR1MAPTNPSR1
SCHEMBL15031974 0.85 MAPT (0.50) TAAR1MAPTNPSR1NQO2L3MBTL1
SCHEMBL3297985 0.85 GRIN2D (0.45) SMN1; SMN2TAAR1MAPTNPSR1NQO2
SCHEMBL12957756 0.85 NQO2 (0.48) TAAR1MAPTNPSR1NQO2L3MBTL1
SCHEMBL2954181 0.84 TAAR1 (0.56) SMN1; SMN2TAAR1MAPTL3MBTL1POLB
SCHEMBL2862226 0.82 L3MBTL1 (0.50) SMN1; SMN2TAAR1MAPTNPSR1NQO2

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025070947-A1 NOVEL PHTHALAZINE DERIVATIVE COMPOUND AS SOS1 INHIBITOR, AND USE THEREOF 한미약품 주식회사 2025-04-03 WO disclosed
WO-2020038464-A1 FIBRIC ACID COMPOUND AND MEDICAL USE THEREOF 北京厚燊药德科技有限责任公司 2020-02-27 WO disclosed
EP-1966842-B1 Lighting elements and devices LOMOX LTD (GB) 2019-08-28 EP disclosed
WO-2018089261-A2 COMPOUNDS AND METHODS FOR MODULATING INTERLEUKIN-2-INDUCIBLE T-CELL KINASE CORVUS PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed
US-20170368051-A1 2-PHENETHENYLTETRAHYDRO ISOQUINOLINES USEFUL AS ANTI-HIV COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-12-28 US disclosed
US-9371318-B2 Compounds having muscarinic receptor antagonist and beta2 adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2016-06-21 US disclosed
US-20150133491-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2015-05-14 US disclosed
US-8987299-B2 Compounds having muscarinic receptor antagonist and beta2 adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2015-03-24 US disclosed
US-20140161736-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A (IT) 2014-06-12 US disclosed
US-20120171111-A1 PROCESS FOR PRODUCTION OF OXIDATION REACTION PRODUCT OF AROMATIC COMPOUND OSAKA UNIVERSITY (JP) 2012-07-05 US disclosed
US-6323373-B1 USED TO OBTAIN POLYMERS WHICH ARE USED AS ELECTROLUMINESCENCE MATERIALS AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO. KG (DE) 2001-11-27 US disclosed
EP-1066250-A2 A CONVERGENT SYNTHESIS OF ALPHA-ARYL-BETA KETONITRILES Du Pont Pharmaceuticals Company (US) 2001-01-10 EP disclosed
EP-1029019-A1 SUBSTITUTED POLY(ARYLENE VINYLENES), METHOD FOR PRODUCING THE SAME, AND THEIR USE IN ELECTROLUMINESCENT ELEMENTS Axiva GmbH (DE) 2000-08-23 EP disclosed
US-6107508-A SYNTHETIC INTERMEDIATES IN THE PREPARATION OF A SERIES OF BIOLOGICALLY IMPORTANT MOLECULES SUCH AS CORTICOTROPIN RELEASING FACTOR RECEPTOR ANTAGONISTS DUPONT PHARMACEUTICALS COMPANY (US) 2000-08-22 US disclosed
WO-1999051568-A2 A CONVERGENT SYNTHESIS OF α-ARYL-β-KETONITRILES DU PONT PHARMACEUTICALS COMPANY (US) 1999-10-14 WO disclosed
EP-0944663-A1 ARYL-SUBSTITUTED POLY(p-ARYLENE VINYLENES), METHOD FOR THE PRODUCTION AND USE THEREOF IN ELECTROLUMINESCENT COMPONENTS Celanese Ventures GmbH (DE) 1999-09-29 EP disclosed
EP-0944569-A1 POLYMERIZABLE BIARYLS, METHOD FOR THE PRODUCTION AND USE THEREOF Aventis Research & Technologies GmbH & Co. KG (DE) 1999-09-29 EP disclosed
WO-1999024526-A1 SUBSTITUTED POLY(ARYLENE VINYLENES), METHOD FOR PRODUCING THE SAME, AND THEIR USE IN ELECTROLUMINESCENT ELEMENTS AXIVA GMBH (DE) 1999-05-20 WO disclosed
WO-1998027136-A1 ARYL-SUBSTITUTED POLY(p-ARYLENE VINYLENES), METHOD FOR THE PRODUCTION AND USE THEREOF IN ELECTROLUMINESCENT COMPONENTS AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO KG (DE) 1998-06-25 WO disclosed
WO-1998025874-A1 POLYMERIZABLE BIARYLS, METHOD FOR THE PRODUCTION AND USE THEREOF AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO KG (DE) 1998-06-18 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 (4 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-20120171111-A1 PROCESS FOR PRODUCTION OF OXIDATION REACTION PRODUCT OF AROMATIC COMPOUND TYR, AOX1, POR TSHR 4382/4885SMN1; SMN2 4595/4885TAAR1 1255/4885
US-20170368051-A1 2-PHENETHENYLTETRAHYDRO ISOQUINOLINES USEFUL AS ANTI-HIV COMPOUNDS MAVS, EIF2AK2, POLRMT TSHR 4860/4885SMN1; SMN2 4230/4885TAAR1 4771/4885
US-20140161736-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY ADRB2, ADRB1, ADRA2B TSHR 221/4885SMN1; SMN2 2305/4885TAAR1 119/4885
US-20150133491-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY ADRB2, ADRB1, ADRA2B TSHR 221/4885SMN1; SMN2 2305/4885TAAR1 119/4885

“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.