SCHEMBL4902987

SCHEMBL4902987

Cc1sc(-c2ccc(C(F)(F)F)cc2)nc1CCN

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.50
NPC1 O15118 2/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
TAAR1 Q96RJ0 1/20 0.47
MAPT P10636 3/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
HSP90AA1 P07900 1/20 0.44
CRHBP P24387 1/20 0.44
KMT2A Q03164 1/20 0.44
CRHR2 Q13324 1/20 0.44
CTSS P25774 1/20 0.44
FFAR1 O14842 2/20 0.42
DCK P27707 1/20 0.41
PPARG P37231 3/20 0.40
PPARD Q03181 3/20 0.40
PPARA Q07869 3/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL4902362 0.87 TNF (0.46) NPC1ALDH1A1MAPTKDM4EDCK
SCHEMBL27657151 0.86 NPC1 (0.46) MAOBNPC1ALDH1A1GAAMAPT
SCHEMBL968444 0.86 NPC1 (0.49) MAOBNPC1ALDH1A1GAAMAPT
SCHEMBL18015833 0.84 MAPT (0.50) MAOBNPC1ALDH1A1GAAMAPT
SCHEMBL4466375 0.83 NPC1 (0.47) MAOBNPC1ALDH1A1GAAMAPT
SCHEMBL14736584 0.83 PPARA (0.46) NPC1ALDH1A1GAATAAR1MAPT
SCHEMBL4906341 0.83 LMNA (0.47) MAPT
SCHEMBL5017198 0.82 NPC1 (0.48) MAOBNPC1ALDH1A1GAAMAPT
SCHEMBL20642197 0.82 NPC1 (0.48) MAOBNPC1ALDH1A1GAAMAPT
SCHEMBL5102703 0.82 MAPT (0.52) MAOBNPC1ALDH1A1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101287718-A Substituted heteroaryl- and phenylsulfamoyl compounds PFIZER PROD INC (US) 2008-10-15 CN disclosed
US-20080090829-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS PFIZER INC. 2008-04-17 US disclosed
EP-1765796-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS Pfizer Products Inc. (US) 2007-03-28 EP disclosed
US-20060229363-A1 Substituted Heteroaryl- and Phenylsulfamoyl Compounds HAMANAKA ERNEST S 2006-10-12 US disclosed
WO-2006003495-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS PFIZER PRODUCTS INC. (US) 2006-01-12 WO disclosed
US-20050288340-A1 Substituted heteroaryl- and phenylsulfamoyl compounds PFIZER INC 2005-12-29 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 (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-20060229363-A1 Substituted Heteroaryl- and Phenylsulfamoyl Compounds PPARA, PPARG, PPARD MAOB 4126/4885NPC1 50/4885ALDH1A1 2664/4885
US-20050288340-A1 Substituted heteroaryl- and phenylsulfamoyl compounds PPARA, PPARG, PPARD MAOB 4263/4885NPC1 59/4885ALDH1A1 2956/4885
US-20080090829-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS PPARA, PPARG, PPARD MAOB 4263/4885NPC1 59/4885ALDH1A1 2956/4885

“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.