SCHEMBL693983

SCHEMBL693983

FC(F)(F)c1cccc(Nc2[c]cccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH2 P48735 3/20 0.54
MAPT P10636 4/20 0.53
RAB9A P51151 2/20 0.53
ALDH1A1 P00352 2/20 0.53
GAA P10253 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
ADORA2A P29274 1/20 0.50
KIF11 P52732 3/20 0.49
RAPGEF4 Q8WZA2 1/20 0.49
HTT P42858 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
EGFR P00533 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
DHODH Q02127 1/20 0.46
AURKA O14965 2/20 0.45
TSHR P16473 1/20 0.45
THRB P10828 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL394991 0.78 KIF11 (0.70) IDH2MAPTRAB9AALDH1A1GAA
SCHEMBL5543915 0.78 IDH2 (0.58) IDH2MAPTRAB9AALDH1A1GAA
SCHEMBL693995 0.78 RAPGEF4 (0.45) MAPTRAB9AALDH1A1GAASMN1; SMN2
SCHEMBL11808460 0.77 CFTR (0.41) IDH2MAPTRAB9AALDH1A1GAA
SCHEMBL7347670 0.77 IDH2 (0.77) IDH2MAPTRAB9AALDH1A1GAA
SCHEMBL30575363 0.77 IDH2 (0.77) IDH2MAPTRAB9AALDH1A1GAA
SCHEMBL1921484 0.75 MAPT (0.77) IDH2MAPTRAB9AALDH1A1GAA
SCHEMBL1921482 0.75 KIF11 (0.70) IDH2MAPTRAB9AALDH1A1GAA
SCHEMBL72023 0.74 HSD17B10 (0.50) MAPTRAB9AALDH1A1GAAHTT
SCHEMBL7546573 0.74 KIF11 (0.52) IDH2MAPTRAB9AALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1430020-B1 QUATERNARY AMMONIUM SALTS OF OMEGA-AMINOALKYLAMIDES OF R-2-ARYL-PROPIONIC ACIDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPÉ FARMACEUTICI S P A (IT) 2016-03-02 EP claimed
CN-102459166-B Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV 2015-03-25 CN claimed
US-8962607-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2015-02-24 US claimed
EP-2421823-B1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-01-14 EP claimed
US-20140243305-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (US) 2014-08-28 US claimed
US-8445477-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2013-05-21 US claimed
US-8399454-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2013-03-19 US claimed
CN-102459166-A Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV 2012-05-16 CN claimed
EP-2421823-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP claimed
EP-2421824-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP claimed
WO-2003043625-A1 2-ARYL-PROPIONIC ACIDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE S.P.A. (IT) 2003-05-30 WO claimed
WO-2003029187-A1 QUATERNARY AMMONIUM SALTS OF OMEGA-AMINOALKYLAMIDES OF R-2-ARYL-PROPIONIC ACIDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE S.P.A. (IT) 2003-04-10 WO claimed
WO-2002068377-A1 OMEGA-AMINOALKYLAMIDES OF R-2-ARYL-PROPIONIC ACIDS AS INHIBITORS OF THE CHEMOTAXIS OF POLYMORPHONUCLEATE AND MONONUCLEATE CELLS Dompé S.p.A. (IT) 2002-09-06 WO claimed
EP-0322068-B1 DERIVATIVES OF THIAZOLIDINE-4-CARBOXYLIC ACID HAVING PHARMACOLOGICAL ACTIVITY ZAMBON GROUP S.p.A. (IT) 1993-07-28 EP claimed
EP-0254354-B1 PHARMACEUTICALLY USEFUL DERIVATIVES OF THIAZOLIDINE-4-CARBOXYLIC ACID ZAMBON S.p.A. (IT) 1993-03-31 EP claimed
US-4952596-A Derivatives of thiazolidine-4-carboxylic acid having pharmacological activity ZAMBON S.P.A. (IT) 1990-08-28 US claimed
US-4840936-A ANTIFLAMMATORY, ANALGESIC AGENT TO PREVENT ARRHYTHMIAS ZAMBON S.P.A. (IT) 1989-06-20 US claimed
EP-0254354-A1 Pharmaceutically useful derivatives of thiazolidine-4-carboxylic acid ZAMBON S.p.A. (IT) 1988-01-27 EP claimed
US-4355034-A Ethenyl derivatives of mercaptoalkylpyridines as anti-inflammatory agents MERCK & CO., INC. (US) 1982-10-19 US claimed
US-3953449-A ANALGESICS SYNTHELABO (FR) 1976-04-27 US claimed

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-20140243305-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA IDH2 1875/4885MAPT 4519/4885RAB9A 851/4885

“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.