SCHEMBL920581

SCHEMBL920581

Clc1cccc(Cc2cc[c]s2)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 0.44
DAO P14920 2/20 0.43
TAAR1 Q96RJ0 3/20 0.42
LMNA P02545 1/20 0.41
CYP3A4 P08684 2/20 0.41
IDO1 P14902 2/20 0.41
AGXT P21549 2/20 0.41
HCAR2 Q8TDS4 1/20 0.39
HTR3E A5X5Y0 2/20 0.39
HTR3B O95264 2/20 0.39
HTR3A P46098 2/20 0.39
HTR3D Q70Z44 2/20 0.39
HTR3C Q8WXA8 2/20 0.39
MAPT P10636 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
SCHEMBL920638 0.79 DAO (0.43) DAOTAAR1IDO1MAPT
SCHEMBL919866 0.79 P2RX7 (0.43) DAOTAAR1LMNAIDO1AGXT
SCHEMBL921646 0.78 ALDH1A1 (0.37) DAOTAAR1IDO1AGXTMAPT
SCHEMBL696711 0.77 CALM1 (0.46) TAAR1LMNA
SCHEMBL3300276 0.74 PNMT (0.65) PNMTDAOTAAR1CYP3A4IDO1
SCHEMBL28148298 0.73 TAAR1 (0.44) PNMTDAOTAAR1LMNACYP3A4
SCHEMBL27959690 0.71 NPC1 (0.56) PNMTDAOTAAR1LMNACYP3A4
SCHEMBL3022914 0.71 PNMT (0.50) PNMTDAOTAAR1CYP3A4IDO1
SCHEMBL920155 0.70 PNMT (0.46) PNMTDAOTAAR1CYP3A4IDO1
SCHEMBL1680462 0.69 PNMT (0.58) PNMTTAAR1LMNACYP3A4IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106999479-A It can be used as the heteroaryl compound of SUMO activating enzyme inhibitors 米伦纽姆医药公司 2017-08-01 CN disclosed
US-20110201649-A1 AGRICULTURAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-18 US disclosed
EP-2345328-A1 COMPOSITION FOR AGRICULTURAL USE Sumitomo Chemical Company, Limited (JP) 2011-07-20 EP disclosed
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-01-13 US disclosed
EP-2248423-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS Sumitomo Chemical Company, Limited (JP) 2010-11-10 EP disclosed
US-20100041694-A1 AGRICULTURAL COMPOSITION FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENIC MICROBES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-02-18 US disclosed
WO-2008126684-A2 AGRICULTURAL COMPOSITION FOR CONTROLLING OR PREVENTING PLANT DISEASES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-10-23 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 (3 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-20100041694-A1 AGRICULTURAL COMPOSITION FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENIC MICROBES HDHD5, NAAA, BROX PNMT 2061/4885DAO 1233/4885TAAR1 3001/4885
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS WIZ, TST, NAT1 PNMT 644/4885DAO 269/4885TAAR1 2785/4885
US-20110201649-A1 AGRICULTURAL COMPOSITION H1-0, H1-3, H1-2 PNMT 3860/4885DAO 227/4885TAAR1 1429/4885

“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.