SCHEMBL3586148

SCHEMBL3586148

CNc1nc(C)c(C(=O)NCc2ccccc2)s1

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCD O00767 12/20 0.73
RAB9A P51151 2/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
TSHR P16473 1/20 0.63
NPC1 O15118 2/20 0.62
ALDH1A1 P00352 1/20 0.62
LCK P06239 1/20 0.58
HPGD P15428 1/20 0.56
CHRM4 P08173 2/20 0.55

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
SCHEMBL3585867 0.89 NPC1 (0.77) SCDRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL3583154 0.86 SCD (0.76) SCDRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL3584809 0.85 SCD (0.82) SCDRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL3585084 0.85 SCD (1.00) SCDRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL3583599 0.84 SCD (0.70) SCDRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL3577472 0.84 SCD (0.73) SCDRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL3591110 0.84 SCD (0.73) SCDRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL27706912 0.84 SCD (0.66) SCDRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL243885 0.83 SCD (0.65) SCDRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL3589788 0.83 SCD (0.71) SCDRAB9ASMN1; SMN2NPC1ALDH1A1

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 5 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
CN-101208089-A Aminothiazole derivatives as human stearoyl-CoA desaturase inhibitors XENON PHARMACEUTICALS INC (CA) 2008-06-25 CN 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 SCD 1/4885RAB9A 2428/4885SMN1; SMN2 1323/4885
US-20130096056-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS SCD, SCD5, ACAT1 SCD 1/4885RAB9A 2466/4885SMN1; SMN2 1277/4885

“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.