SCHEMBL3601910

SCHEMBL3601910

COc1ccc(N=C=S)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.42
MIF P14174 2/20 0.42
GAA P10253 1/20 0.39
ALDH1A1 P00352 3/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38
KDM4E B2RXH2 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
ACHE P22303 2/20 0.37
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
HTR3A P46098 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 1/20 0.37
CYP1B1 Q16678 1/20 0.37
MEN1 O00255 3/20 0.36

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
SCHEMBL30266941 1.00 APLNR (0.42) APLNRMIFGAAALDH1A1CA12
SCHEMBL162798 0.83 CYP3A4 (0.51) GAAALDH1A1CA12CA1CA2
SCHEMBL248691 0.81 ALDH1A1 (0.40) APLNRMIFGAAALDH1A1KDM4E
SCHEMBL222435 0.81 CA12 (0.52) APLNRMIFGAAALDH1A1CA12
SCHEMBL29825539 0.81 CA12 (0.52) APLNRMIFGAAALDH1A1CA12
SCHEMBL3666346 0.79 APLNR (0.41) APLNRMIFALDH1A1CA12CA1
SCHEMBL28115349 0.79 APLNR (0.45) APLNRMIFALDH1A1CA12CA1
SCHEMBL11552059 0.79 APLNR (0.41) APLNRMIFCA12CA1CA2
SCHEMBL1993331 0.78 ALDH1A1 (0.41) APLNRMIFALDH1A1KDM4EMEN1
SCHEMBL4133933 0.78 KDM4E (0.42) GAAALDH1A1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4701635-A1 1,2,4-TRIAZOLE-3-THIONE INHIBITORS OF TREX2 FOR USE IN THE TREATMENT OF PSORIASIS, ATOPIC DERMATITIS OR ICHTHYOSIS Universitat De Barcelona (ES) 2026-03-04 EP disclosed
WO-2024223907-A1 1,2,4-TRIAZOLE-3-THIONE INHIBITORS OF TREX2 FOR USE IN THE TREATMENT OF PSORIASIS, ATOPIC DERMATITIS OR ICHTHYOSIS UNIVERSITAT DE BARCELONA (ES) 2024-10-31 WO disclosed
CN-115677586-B Polysubstituted aminopyrazole compound and preparation method and application thereof 湖北省生物农药工程研究中心 2024-05-14 CN disclosed
CN-115677586-A Polysubstituted amino pyrazole compound and preparation method and application thereof 湖北省生物农药工程研究中心 2023-02-03 CN disclosed
CN-106535634-B Molecules having certain pesticidal utility, intermediates, compositions, and methods related thereto 美国陶氏益农公司 2020-06-23 CN disclosed
EP-3171697-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO Dow AgroSciences LLC (US) 2017-05-31 EP disclosed
US-9445594-B2 Molecules having certain pesticidal utilities, intermediates, compositions, and processes, related thereto DOW AGROSCIENCES LLC (US) 2016-09-20 US disclosed
US-20160021883-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2016-01-28 US disclosed
WO-2016014664-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2016-01-28 WO disclosed
US-8901141-B2 Tricyclic compounds having corticotropin-releasing factor antagonistic activity and pharmaceutical compositions containing them TAKEDA PHARMACEUTICAL COMPANY, LIMITED (JP) 2014-12-02 US disclosed
WO-2005047273-A1 THIAZOLE AND PYRAZOLE DERIVATIVES AS FLT-3 KINASE INHIBITORS NOVARTIS AG (CH) 2005-05-26 WO disclosed
US-20040254373-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor PFIZER INC 2004-12-16 US disclosed
US-20040249150-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor PFIZER INC 2004-12-09 US disclosed
US-20040116417-A1 Thiohydantoins and use thereof for treating diabetes LABORATOIRES FOURNIER SA (FR) 2004-06-17 US disclosed
US-20030236287-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor PHARMACIA & UPJOHN COMPANY 2003-12-25 US disclosed
WO-2003093250-A2 POSITIVE ALLOSTERIC MODULATORS OF THE NICOTINIC ACETYLCHOLINE RECEPTOR PHARMACIA & UPJOHN COMPANY (US) 2003-11-13 WO disclosed
WO-2003083068-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2003-10-09 WO disclosed
EP-1223932-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2003-01-15 EP disclosed
EP-1223932-A1 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2002-07-24 EP disclosed
WO-2001024796-A1 1,2,4-TRIAZOLE DERIVATIVES, COMPOSITION, PROCESS OF MAKING AND METHODS OF USE SMITHKLINE BEECHAM CORPORATION (US) 2001-04-12 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-20040254373-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor CHRNA1, CHRNB1, CHRM1 APLNR 947/4885MIF 4725/4885GAA 2909/4885
US-20030236287-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor CHRNA1, CHRNB1, CHRM1 APLNR 947/4885MIF 4725/4885GAA 2909/4885
US-20040249150-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor CHRNA1, CHRNB1, CHRM1 APLNR 947/4885MIF 4725/4885GAA 2909/4885
US-20160021883-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO ACHE, DDT, MLYCD APLNR 4263/4885MIF 489/4885GAA 823/4885

“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.