SCHEMBL177583

SCHEMBL177583

FC(F)(F)c1cc(OBOc2ccc(Cl)c(C(F)(F)F)c2)ccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.46
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
HTR3A P46098 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 0.42
KDR P35968 1/20 0.42
PYCR1 P32322 1/20 0.42
GPR84 Q9NQS5 1/20 0.42
NOTUM Q6P988 6/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
AR P10275 2/20 0.38
RAPGEF4 Q8WZA2 1/20 0.38
PDK1 Q15118 1/20 0.38
SCN9A Q15858 1/20 0.38

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
SCHEMBL177527 0.85 MRGPRX4 (0.42) IDO1PPARGPPARAPYCR1NOTUM
SCHEMBL3923371 0.78 IDO1 (0.56) IDO1PPARGPPARAHTR3EHTR3B
SCHEMBL1043138 0.78 MAPT (0.52) IDO1PPARGPPARAHTR3EHTR3B
SCHEMBL29573736 0.78 MAPT (0.52) IDO1PPARGPPARAHTR3EHTR3B
SCHEMBL6764202 0.76 IDO1 (0.45) IDO1PPARGPPARAHTR3EHTR3B
SCHEMBL10709853 0.76 IDO1 (0.45) IDO1PPARGPPARAHTR3EHTR3B
SCHEMBL177501 0.74 HSP90AA1 (0.47) PPARGPPARAHSD17B10
SCHEMBL1231963 0.74 KIF11 (0.43)
SCHEMBL17352145 0.74 PPARG (0.46) IDO1PPARGPPARAHTR3EHTR3B
SCHEMBL22829 0.74 AR (0.43) CA1CA2CA7CA9AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109280032-B Pyridazinone mother nucleus structure histone deacetylase inhibitor and preparation method and application thereof 中国科学院上海药物研究所 2023-05-12 CN disclosed
US-9415027-B2 Therapeutic agents ALLERGAN, INC. (US) 2016-08-16 US disclosed
US-20150344503-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE, METHODS OF TREATMENT AND METHODS OF PREPARING SAME INFINITY PHARMACEUTICALS INC (US) 2015-12-03 US disclosed
US-20150258048-A1 THERAPEUTIC AGENTS ALLERGAN, INC. 2015-09-17 US disclosed
US-9108989-B2 Inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2015-08-18 US disclosed
US-9051294-B2 Therapeutic agents ALLERGAN, INC. (US) 2015-06-09 US disclosed
US-9006429-B2 Herbicidal pyrandione, thiopyrandione, and cyclohexanetrione derivatives SYNGENTA CROP PROTECTION, LLC (US) 2015-04-14 US disclosed
WO-2014179263-A1 THERAPEUTIC AGENTS ALLERGAN, INC. (US) 2014-11-06 WO disclosed
US-20140323558-A1 THERAPEUTIC AGENTS ALLERGAN, INC. (US) 2014-10-30 US disclosed
EP-2102181-B1 4-PHENYL-PYRANE-3,5-DIONES, 4-PHENYL-THIOPYRANE-3,5-DIONES AND CYCLOHEXANETRIONES AS NOVEL HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2014-06-18 EP disclosed
US-20110230440-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE ADAMS JULIAN 2011-09-22 US disclosed
US-20110224171-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY DISCOVERY, INC. 2011-09-15 US disclosed
EP-2073816-B1 BORONIC ACIDS AND ESTERS AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS INC (US) 2011-09-14 EP disclosed
US-7947663-B2 Inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2011-05-24 US disclosed
US-20100210466-A1 4-PHENYL-PYRANE-3,5-DIONES,4-PHENYL-THIOPYRANE-3,6-DIONES AND CYCLOHEXANETRIONES AS NOVEL HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2010-08-19 US disclosed
EP-2102181-A1 4-PHENYL-PYRANE-3,5-DIONES, 4-PHENYL-THIOPYRANE-3,5-DIONES AND CYCLOHEXANETRIONES AS NOVEL HERBICIDES Syngeta Participations AG (CH) 2009-09-23 EP disclosed
EP-2073816-A2 INHIBITORS OF FATTY ACID AMIDE HYDROLASE Infinity Pharmaceuticals, Inc. (US) 2009-07-01 EP disclosed
US-20090099131-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY DISCOVERY, INC. (US) 2009-04-16 US disclosed
WO-2008071405-A1 4-PHENYL-PYRANE-3,5-DIONES, 4-PHENYL-THIOPYRANE-3,5-DIONES AND CYCLOHEXANETRIONES AS NOVEL HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2008-06-19 WO disclosed
WO-2008063300-A2 BORONIC ACIDS AND ESTERS AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2008-05-29 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 (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-20100210466-A1 4-PHENYL-PYRANE-3,5-DIONES,4-PHENYL-THIOPYRANE-3,6-DIONES AND CYCLOHEXANETRIONES AS NOVEL HERBICIDES DDT, HPD, CYP4B1 IDO1 1012/4885PPARG 46/4885PPARA 47/4885
US-20110224171-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, ASAH1 IDO1 201/4885PPARG 567/4885PPARA 633/4885
US-20090099131-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, ASAH1 IDO1 201/4885PPARG 567/4885PPARA 633/4885
US-20140323558-A1 THERAPEUTIC AGENTS PTGER4, PTGER2, PTGER1 IDO1 2623/4885PPARG 204/4885PPARA 350/4885
US-20150344503-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE, METHODS OF TREATMENT AND METHODS OF PREPARING SAME FAAH, FAAH2, ASAH1 IDO1 314/4885PPARG 596/4885PPARA 631/4885
US-20110230440-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, ASAH1 IDO1 201/4885PPARG 567/4885PPARA 633/4885
US-20150258048-A1 THERAPEUTIC AGENTS PTGER4, PTGER2, PTGER1 IDO1 2623/4885PPARG 204/4885PPARA 350/4885

“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.