SCHEMBL530150

SCHEMBL530150

CCCc1ccc(Cl)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
SIGMAR1 Q99720 6/20 0.42
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
GLA P06280 1/20 0.39
BCAT2 O15382 1/20 0.38
GAA P10253 1/20 0.38
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
PKM P14618 1/20 0.37
RAB9A P51151 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
Ammonia Solution, Strong SCHEMBL6341561 0.98 PNMT (0.44) PNMTTAAR1CNR1CNR2SIGMAR1
SCHEMBL8990781 0.91 MCL1 (0.40) PNMTTAAR1CNR1CNR2SIGMAR1
SCHEMBL10379977 0.87 MAOB (0.46) TAAR1CNR2SIGMAR1SMN1; SMN2GAA
SCHEMBL28114780 0.86 HTR2A (0.48) SIGMAR1SMN1; SMN2GLATP53HSD17B10
SCHEMBL8857916 0.85 RARB (0.47) TAAR1SMN1; SMN2MAPTGAANPC1
SCHEMBL30466107 0.85 RARB (0.47) TAAR1SMN1; SMN2MAPTGAANPC1
SCHEMBL24454689 0.85 HTR2A (0.52) SIGMAR1TP53HSD17B10
SCHEMBL28114379 0.85 HTR2A (0.52) SIGMAR1TP53HSD17B10
SCHEMBL7772878 0.83 RARB (0.46) TAAR1SMN1; SMN2MAPTGAANPC1
SCHEMBL530440 0.83 DAO (0.45) PNMTTAAR1CNR1CNR2SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023192901-A9 QUINOLINE DERIVATIVES AS MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS ESCIENT PHARMACEUTICALS, INC. (US) 2023-12-14 WO disclosed
WO-2023192901-A1 QUINOLINE DERIVATIVES AS MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS ESCIENT PHARMACEUTICALS, INC. (US) 2023-10-05 WO disclosed
US-20230303562-A1 PYRAZOLE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2023-09-28 US disclosed
US-20220204565-A1 Cyclic Peptide Antiviral Agents and Methods Using Same UNIV DREXEL (US) 2022-06-30 US disclosed
WO-2020127508-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2020-06-25 WO disclosed
US-20190375792-A1 Cyclic Peptide Antiviral Agents and Methods Using Same NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-12-12 US disclosed
US-9546164-B2 Substituted benzamides and methods of use thereof GENENTECH, INC. (US) 2017-01-17 US disclosed
US-20150252038-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF XENON PHARMACEUTICALS INC. (CA) 2015-09-10 US disclosed
EP-2888247-A1 SERINE/THREONINE KINASE INHIBITORS FOR THE TREATMENT OF HYPERPROLIFERATIVE!DISEASES Array Biopharma, Inc. (US) 2015-07-01 EP disclosed
WO-2014036015-A1 SERINE/THREONINE KINASE INHIBITORS FOR THE TREATMENT OF HYPERPROLIFERATIVE|DISEASES ARRAY BIOPHARMA INC. (US) 2014-03-06 WO disclosed
US-20130123545-A1 METHOD FOR SYNTHESIZING DIKETOPYRACENE CANON KABUSHIKI KAISHA (JP) 2013-05-16 US disclosed
US-8344138-B2 Triazinedione derivatives as GABAB receptor modulators ADDEX PHARMA S.A. (CH) 2013-01-01 US disclosed
US-20120276050-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-11-01 US disclosed
WO-2012118850-A1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2012-09-07 WO disclosed
US-20120148534-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-06-14 US disclosed
WO-2012014908-A1 METHOD FOR SYNTHESIZING DIKETOPYRACENE CANON KABUSHIKI KAISHA (JP) 2012-02-02 WO disclosed
US-20110052536-A1 METHODS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION AND COMPOSITIONS FOR TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-03-03 US disclosed
US-20100028299-A1 Methods and compositions of treating a flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2010-02-04 US disclosed
US-20100004246-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS ADDEX PHARMA SA (CH) 2010-01-07 US disclosed
US-20090099096-A1 AZA-peptide protease inhibitors GILEAD SCIENCES, INC. 2009-04-16 US 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 (11 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-20100004246-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS CHRNA5, GABRA5, GABRB3 PNMT 887/4885TAAR1 77/4885CNR1 48/4885
US-20230303562-A1 PYRAZOLE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF CYP51A1, CYP4F11, WEE1 PNMT 3998/4885TAAR1 4796/4885CNR1 1874/4885
US-20190375792-A1 Cyclic Peptide Antiviral Agents and Methods Using Same VIP, CCL5, ZC3HAV1 PNMT 4566/4885TAAR1 4606/4885CNR1 3651/4885
US-20130123545-A1 METHOD FOR SYNTHESIZING DIKETOPYRACENE DHPS, CBR1, DDT PNMT 1650/4885TAAR1 3044/4885CNR1 2091/4885
US-20110052536-A1 METHODS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION AND COMPOSITIONS FOR TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION EIF2AK2, NSUN3, RNGTT PNMT 1214/4885TAAR1 4749/4885CNR1 3923/4885
US-20220204565-A1 Cyclic Peptide Antiviral Agents and Methods Using Same ZC3HAV1, VIP, LNPEP PNMT 3782/4885TAAR1 4585/4885CNR1 4583/4885
US-20120148534-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION EIF2AK2, NSUN3, NSUN2 PNMT 1038/4885TAAR1 4755/4885CNR1 3683/4885
US-20150252038-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF BRIX1, RDX, RRM1 PNMT 2378/4885TAAR1 3479/4885CNR1 499/4885
US-20090099096-A1 AZA-peptide protease inhibitors DNPEP, ANPEP, PEPD PNMT 3364/4885TAAR1 4128/4885CNR1 4782/4885
US-20120276050-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION NSUN3, RNGTT, NSUN2 PNMT 1337/4885TAAR1 4532/4885CNR1 2451/4885
US-20100028299-A1 Methods and compositions of treating a flaviviridae family viral infection EIF2AK2, NSUN3, NSUN2 PNMT 1038/4885TAAR1 4755/4885CNR1 3683/4885

“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.