SCHEMBL3789087

SCHEMBL3789087

CCc1ccc(N)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.52
TSHR P16473 3/20 0.52
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
EPHX2 P34913 1/20 0.46
NR1H4 Q96RI1 1/20 0.46
ALDH1A1 P00352 5/20 0.45
ALOX15 P16050 2/20 0.45
THRB P10828 1/20 0.45
HPGD P15428 1/20 0.45
CASP1 P29466 1/20 0.45
RECQL P46063 1/20 0.45
HSD17B10 Q99714 1/20 0.45
HTT P42858 3/20 0.41
MAPT P10636 2/20 0.41
GAA P10253 2/20 0.41
MAPK1 P28482 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM3 P20309 1/20 0.41
MAOA P21397 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
SCHEMBL3787093 0.83 CYP3A4 (0.48) CYP3A4TSHRCA1CA2EPHX2
SCHEMBL282088 0.82 CYP3A4 (0.52) CYP3A4TSHRCA1CA2EPHX2
SCHEMBL31175763 0.81 CYP3A4 (0.56) CYP3A4TSHRCA1CA2EPHX2
SCHEMBL352023 0.81 CYP3A4 (0.56) CYP3A4TSHRCA1CA2EPHX2
SCHEMBL3784690 0.79 CYP3A4 (0.45) CYP3A4TSHRCA1CA2EPHX2
SCHEMBL14085077 0.79 CYP3A4 (0.54) CYP3A4TSHRCA1CA2EPHX2
SCHEMBL395438 0.78 PRKCI (0.47) CYP3A4TSHRALDH1A1CASP1RECQL
SCHEMBL5491963 0.78 CASP1 (0.50) CYP3A4TSHRALDH1A1ALOX15THRB
SCHEMBL29738343 0.78 PRKCI (0.47) CYP3A4TSHRALDH1A1CASP1RECQL
SCHEMBL29414153 0.78 CASP1 (0.50) CYP3A4TSHRALDH1A1ALOX15THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024105553-A1 BICYCLIC HETEROCYCLES AND THEIR USE AS WRN INHIBITORS NOVARTIS AG (CH) 2024-05-23 WO disclosed
WO-2023062627-A1 HERBICIDES AND USE THEREOF PROJINI AGCHEM LTD (IL) 2023-04-20 WO disclosed
WO-2022150574-A1 INHIBITORS OF MYCOBACTERIUM TUBERCULOSIS LIPOAMIDE DEHYDROGENASE CORNELL UNIVERSITY (US) 2022-07-14 WO disclosed
WO-2021053234-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING KIDNEY DISEASE Johann Wolfgang Goethe-Universität Frankfurt am Main (DE) 2021-03-25 WO disclosed
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP disclosed
WO-2007106705-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS AND METHODS OF USING SAME BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-09-20 WO disclosed
EP-1173420-A2 HETEROCYCLIC COMPOUNDS HAVING ANTITUMOR ACTIVITY Novuspharma S.p.A. (IT) 2002-01-23 EP disclosed
US-6251903-B1 Alkyl, azido, alkoxy, and fluoro-substituted and fused quinoxalinediones and the use thereof as glycine receptor antagonist COCENSYS, INC. 2001-06-26 US disclosed
US-6147075-A ANALGESICS; PSYCHOLOGICAL DISORDERS COCENSYS, INC. (US) 2000-11-14 US disclosed
EP-0051782-A1 Process for the manufacture of m-halogenated anilines BAYER AG (DE) 1982-05-19 EP disclosed
EP-0014344-B1 COUMARIN COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS WHITENERS AND LASER DYES BAYER AG (DE) 1982-04-21 EP disclosed
US-4326066-A Triazolyl coumarin compounds, processes for their preparation and their use as whiteners and laser dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1982-04-20 US disclosed
US-4324914-A Process for preparation of anilines substituted by chlorine in the meta-position RHONE-POULENC AGROCHIMIE (FR) 1982-04-13 US disclosed
US-4233055-A Quaternary ammonioalkanecarboxylic acid anilides as plant growth influencing agents CIBA-GEIGY CORPORATION (US) 1980-11-11 US disclosed
EP-0014344-A1 Coumarin compounds, process for their preparation and their use as whiteners and laser dyes BAYER AG (DE) 1980-08-20 EP disclosed
US-4193937-A DECHLORINATION OF CHLOROANILINES, SELECTIVE HYDROGENATION CATALYSTS OF NOBLE METAL AND SULFUR BAYER AKTIENGESELLSCHAFT (DE) 1980-03-18 US disclosed
US-4141718-A ANTIGROWTH AGENTS FOR PLANTS CIBA-GEIGY CORPORATION (US) 1979-02-27 US disclosed
US-4085141-A Process for the preparation of anilines meta-substituted by chlorine BAYER AKTIENGESELLSCHAFT (DT) 1978-04-18 US disclosed
US-3947434-A 9-(P-phenylazoanilino)-7-methyl-1H-imidazo[4,5-f]quinolines MORTON-NORWICH PRODUCTS, INC. (US) 1976-03-30 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 (1 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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 CYP3A4 177/4885TSHR 1688/4885CA1 3273/4885

“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.