SCHEMBL3589868

SCHEMBL3589868

COc1ccc(C(=O)Nc2nc(C)c(C(=O)Nc3cccnc3)s2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.72
KMT2A Q03164 4/20 0.69
POLB P06746 1/20 0.69
MAPT P10636 2/20 0.68
CLK1 P49759 1/20 0.68
BRAF P15056 1/20 0.61
PKM P14618 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
ALDH1A1 P00352 3/20 0.60
NPC1 O15118 3/20 0.60
RXFP1 Q9HBX9 2/20 0.60
NPSR1 Q6W5P4 1/20 0.60
KDM4E B2RXH2 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
MEN1 O00255 2/20 0.59
HSP90AA1 P07900 1/20 0.58
TP53 P04637 2/20 0.57
NAMPT P43490 1/20 0.56
CDK5 Q00535 1/20 0.55
CDK5R1 Q15078 1/20 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
SCHEMBL3581760 0.90 NAMPT (0.70) RAB9AKMT2APOLBMAPTCLK1
SCHEMBL30151533 0.85 RAB9A (1.00) RAB9AKMT2APOLBBRAFPKM
SCHEMBL11129936 0.85 RAB9A (1.00) RAB9AKMT2APOLBBRAFPKM
SCHEMBL1704736 0.81 BRAF (0.62) RAB9AKMT2APOLBMAPTCLK1
SCHEMBL27706872 0.81 NPC1 (0.53) RAB9AKMT2APOLBMAPTCLK1
SCHEMBL5420319 0.81 KMT2A (0.90) RAB9AKMT2APOLBBRAFPKM
SCHEMBL3587162 0.79 NPC1 (0.73) RAB9AKMT2AALDH1A1NPC1RXFP1
SCHEMBL28476359 0.79 NPC1 (0.78) RAB9AKMT2AMAPTALDH1A1NPC1
SCHEMBL3590314 0.78 RAB9A (0.75) RAB9AKMT2AMAPTCLK1PKM
SCHEMBL7405091 0.77 RAB9A (0.78) RAB9AKMT2APOLBMAPTBRAF

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 10 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 claimed
US-20130096056-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS XENON PHARMACEUTICALS INC. (CA) 2013-04-18 US claimed
EP-2540296-A1 Arminothiazole derivatives as human stearoyl-coa desaturase inhibitors Xenon Pharmaceuticals Inc. (CA) 2013-01-02 EP claimed
US-20100152187-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS XENON PHARMACEUTICALS INC. (CA) 2010-06-17 US claimed
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 RAB9A 2428/4885KMT2A 1897/4885POLB 3214/4885
US-20130096056-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS SCD, SCD5, ACAT1 RAB9A 2466/4885KMT2A 1901/4885POLB 3199/4885

“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.