SCHEMBL3579180

SCHEMBL3579180

Nc1nc(C(F)(F)F)c(C(=O)NCc2ccccc2)s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.52
CYP2C19 P33261 2/20 0.50
CYP2C9 P11712 1/20 0.50
CNR2 P34972 4/20 0.49
CHRM4 P08173 3/20 0.49
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
PPARG P37231 1/20 0.48
PPARD Q03181 1/20 0.48
PPARA Q07869 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CDC7 O00311 1/20 0.47
CCNE1 P24864 1/20 0.47
CDK2 P24941 1/20 0.47

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
SCHEMBL13082932 0.89 PPARA (0.58) CHRM4HDAC1HDAC6PPARGPPARD
SCHEMBL13082954 0.88 LMNA (0.52) CHRM4PPARGPPARDPPARAALDH1A1
SCHEMBL13082716 0.88 LMNA (0.52) CYP2C19CYP2C9CNR2CHRM4PPARG
SCHEMBL13082957 0.86 CHRM4 (0.53) CYP2D6CYP2C19CYP2C9CNR2CHRM4
SCHEMBL13541847 0.85 CNR2 (0.49) CNR2CHRM4HDAC3HDAC4HDAC1
SCHEMBL13082958 0.84 CHRM4 (0.41) CYP2D6CYP2C19CYP2C9CNR2CHRM4
SCHEMBL13082495 0.83 MAPK14 (0.56) CHRM4PPARGPPARDPPARA
SCHEMBL13082511 0.82 ACKR3 (0.51) ALDH1A1HPGD
SCHEMBL3583256 0.81 SCD (0.53) CNR2HDAC3HDAC4HDAC1HDAC6
SCHEMBL244826 0.80 SCD (0.64) CYP2D6CHRM4ALDH1A1SCD

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 CYP2D6 871/4885CYP2C19 1241/4885CYP2C9 960/4885
US-20130096056-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS SCD, SCD5, ACAT1 CYP2D6 865/4885CYP2C19 1240/4885CYP2C9 976/4885

“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.