SCHEMBL2987196

SCHEMBL2987196

ClCc1ccc(Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.54
MAOA P21397 1/20 0.54
S1PR5 Q9H228 1/20 0.45
TTR P02766 1/20 0.44
APP P05067 1/20 0.44
PPARG P37231 3/20 0.44
PPARA Q07869 3/20 0.44
IDO1 P14902 3/20 0.43
AGXT P21549 2/20 0.43
LTA4H P09960 2/20 0.42
HTR2A P28223 1/20 0.42
SLC6A4 P31645 1/20 0.42
KCNH2 Q12809 1/20 0.42
PTGS2 P35354 1/20 0.42
EPHX2 P34913 1/20 0.41
ST14 Q9Y5Y6 1/20 0.41
NPBWR1 P48145 1/20 0.41

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
SCHEMBL1338731 0.90 ST14 (0.48) MAOBMAOATTRLTA4HST14
SCHEMBL8551187 0.90 ST14 (0.48) MAOBMAOATTRLTA4HST14
SCHEMBL120896 0.84
SCHEMBL10870044 0.83 MAOB (0.56) MAOBMAOAS1PR5APPPPARG
SCHEMBL3986244 0.82 IDO1 (0.52) MAOBIDO1AGXTHTR2ASLC6A4
Methane SCHEMBL28356057 0.82 IDO1 (0.52) MAOBIDO1AGXTHTR2ASLC6A4
Hydrochloric Acid SCHEMBL11121998 0.82 IDO1 (0.52) MAOBIDO1AGXTHTR2ASLC6A4
Phosphine SCHEMBL4870393 0.82 IDO1 (0.52) MAOBIDO1AGXTHTR2ASLC6A4
SCHEMBL4989141 0.82 IDO1 (0.52) MAOBIDO1AGXTHTR2ASLC6A4
SCHEMBL457634 0.82 MAOA (0.74) MAOBMAOALTA4HPTGS2

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106692138-B Application of N-benzyl imidazole amide derivative as polymyxin antibiotic synergist 广州英赛特生物技术有限公司 2020-08-04 CN disclosed
US-10435376-B2 Derivatives of 1H-imidazole-4,5-dicarboxamide and use thereof in preparation of anticoccidial drugs Guangzhou Insighter Biotechnology Co., Ltd. (CN) 2019-10-08 US disclosed
US-20180370921-A1 Derivatives of 1H-imidazole-4,5-dicarboxamide and Use Thereof in Preparation of Anticoccidial Drugs GUANGZHOU INSIGHTER BIOTECHNOLOGY CO.,LTD. (CN) 2018-12-27 US disclosed
US-20100317854-A1 NOVEL AMINODICARBOXYLIC ACID DERIVATIVES HAVING PHARMACEUTICAL PROPERTIES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-12-16 US disclosed
US-7781470-B2 Aminodicarboxylic acid derivatives having pharmaceutical properties BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-08-24 US disclosed
US-20090203906-A1 NOVEL AMINODICARBOXYLIC ACID DERIVATIVES HAVING PHARMACEUTICAL PROPERTIES BAYER AKTIENGESELLSCHAFT (DE) 2009-08-13 US disclosed
US-7517896-B2 Aminodicarboxylic acid derivatives having pharmaceutical properties BAYER AKTIENGESELLSCHAFT (DE) 2009-04-14 US disclosed
US-7087644-B1 Derivatives of dicarboxylic acid having pharmaceutical properties BAYER AKTIENGESELLSCHAFT (DE) 2006-08-08 US disclosed
US-20060094769-A1 Novel aminodicarboxylic acid derivatives having pharmaceutical properties BAYER AKTIENGESELLSCHAFT (DE) 2006-05-04 US disclosed
US-6953789-B2 Thiol compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-10-11 US disclosed
US-20040157894-A1 Thiol compounds, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-08-12 US disclosed
US-6699881-B2 MATRIX METALLOPROTEASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2004-03-02 US disclosed
US-20030078253-A1 Thiol compounds, their production and use TAKEDA PHARMACEUTICAL COMPANY, LIMITED (JP) 2003-04-24 US disclosed
US-6420415-B1 Thiol compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-07-16 US disclosed
EP-1132379-A1 NOVEL THIOL DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND UTILIZATION THEREOF Takeda Chemical Industries, Ltd. (JP) 2001-09-12 EP 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 (7 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-20030078253-A1 Thiol compounds, their production and use TST, QSOX1, SULT1E1 MAOB 1846/4885MAOA 2043/4885S1PR5 2160/4885
US-20090203906-A1 NOVEL AMINODICARBOXYLIC ACID DERIVATIVES HAVING PHARMACEUTICAL PROPERTIES DDC, AADAT, PTGIS MAOB 749/4885MAOA 1200/4885S1PR5 1602/4885
US-20100317854-A1 NOVEL AMINODICARBOXYLIC ACID DERIVATIVES HAVING PHARMACEUTICAL PROPERTIES DDC, AADAT, PTGIS MAOB 749/4885MAOA 1200/4885S1PR5 1602/4885
US-20180370921-A1 Derivatives of 1H-imidazole-4,5-dicarboxamide and Use Thereof in Preparation of Anticoccidial Drugs CYP3A5, DDC, CPS1 MAOB 2024/4885MAOA 1483/4885S1PR5 2538/4885
US-20040157894-A1 Thiol compounds, their production and use TST, SULT1E1, QSOX1 MAOB 1776/4885MAOA 2027/4885S1PR5 1980/4885
US-10435376-B2 Derivatives of 1H-imidazole-4,5-dicarboxamide and use thereof in preparation of anticoccidial drugs CYP3A5, DDC, CPS1 MAOB 2024/4885MAOA 1483/4885S1PR5 2538/4885
US-20060094769-A1 Novel aminodicarboxylic acid derivatives having pharmaceutical properties DDC, AADAT, PTGIS MAOB 749/4885MAOA 1200/4885S1PR5 1602/4885

“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.