SCHEMBL3575995

SCHEMBL3575995

Cc1nc(N)sc1C(=O)NCc1ccc(Cl)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 6/20 0.61
ALDH1A1 P00352 2/20 0.56
PPARD Q03181 1/20 0.56
PPARA Q07869 1/20 0.56
GAA P10253 1/20 0.55
SMN1; SMN2 Q16637 4/20 0.54
LMNA P02545 2/20 0.54
TSHR P16473 1/20 0.54
KMT2A Q03164 3/20 0.51
RAB9A P51151 3/20 0.51
NPC1 O15118 2/20 0.51
MEN1 O00255 1/20 0.51
MAPT P10636 2/20 0.50
GALR3 O60755 1/20 0.50
NR2F2 P24468 1/20 0.50
TP53 P04637 1/20 0.50
THRB P10828 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
HPGD P15428 1/20 0.50
SCD O00767 1/20 0.49

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
SCHEMBL13082000 0.89 NPC1 (0.64) CHRM4ALDH1A1PPARASMN1; SMN2LMNA
SCHEMBL3042709 0.87 CHRM4 (0.57) CHRM4ALDH1A1PPARASMN1; SMN2LMNA
SCHEMBL244826 0.86 SCD (0.64) CHRM4ALDH1A1RAB9ANPC1SCD
SCHEMBL3455092 0.84 PPARD (0.56) CHRM4ALDH1A1PPARDPPARAGAA
SCHEMBL13081712 0.84 CYP2C9 (0.64) CHRM4ALDH1A1PPARDPPARAGAA
SCHEMBL13082592 0.83 MMP13 (0.56) CHRM4ALDH1A1KMT2ARAB9ANPC1
SCHEMBL13082716 0.81 LMNA (0.52) CHRM4ALDH1A1PPARDPPARASMN1; SMN2
SCHEMBL12464766 0.80 PPARA (0.69) CHRM4ALDH1A1PPARDPPARAGAA
SCHEMBL3590007 0.80 RAB9A (0.79) ALDH1A1GAASMN1; SMN2LMNAKMT2A
SCHEMBL245671 0.79 CHRM4 (0.62) CHRM4ALDH1A1GAATSHRKMT2A

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
US-8541457-B2 Aminothiazole derivatives as human stearoyl-CoA desaturase inhibitors XENON PHARMACEUTICALS INC. (CA) 2013-09-24 US disclosed
US-20130096056-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS XENON PHARMACEUTICALS INC. (CA) 2013-04-18 US disclosed
EP-2540296-A1 Arminothiazole derivatives as human stearoyl-coa desaturase inhibitors Xenon Pharmaceuticals Inc. (CA) 2013-01-02 EP disclosed
US-20100152187-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS XENON PHARMACEUTICALS INC. (CA) 2010-06-17 US disclosed
EP-2029138-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS XENON PHARMACEUTICALS INC. (CA) 2009-03-04 EP disclosed
WO-2007130075-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS XENON PHARMACEUTICALS INC. (CA) 2007-11-15 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 (2 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-20100152187-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS SCD, SCD5, ACAT1 CHRM4 4493/4885ALDH1A1 927/4885PPARD 173/4885
US-20130096056-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS SCD, SCD5, ACAT1 CHRM4 4481/4885ALDH1A1 910/4885PPARD 172/4885

“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.