SCHEMBL3583702

SCHEMBL3583702

COC(=O)c1sc(NC(=O)c2ccccc2)nc1N

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.58
RAB9A P51151 6/20 0.58
MAPT P10636 2/20 0.58
CCNA2 P20248 4/20 0.56
CDK2 P24941 4/20 0.56
KMT2A Q03164 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
ALDH1A1 P00352 1/20 0.55
PKM P14618 1/20 0.55
SCD O00767 2/20 0.54
ADORA3 P0DMS8 4/20 0.54
ADORA1 P30542 3/20 0.54
L3MBTL1 Q9Y468 1/20 0.52
KDM4E B2RXH2 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
MEN1 O00255 1/20 0.51
GSK3A P49840 1/20 0.51
GSK3B P49841 1/20 0.51
CDK5 Q00535 1/20 0.51

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
SCHEMBL3584743 0.86 ADORA3 (0.58) NPC1RAB9AMAPTCCNA2CDK2
SCHEMBL4468574 0.81 NPC1 (0.72) NPC1RAB9AMAPTCCNA2CDK2
SCHEMBL7753414 0.79 GSK3B (0.69) NPC1RAB9AMAPTCCNA2CDK2
SCHEMBL3576863 0.78 SCD (0.56) NPC1RAB9AMAPTCCNA2CDK2
SCHEMBL1726531 0.74 TRPM8 (0.71) NPC1MAPTKMT2ASMN1; SMN2ALDH1A1
SCHEMBL3582729 0.74 NPC1 (0.73) NPC1RAB9AMAPTKMT2ASMN1; SMN2
SCHEMBL3584407 0.74 SMN1; SMN2 (0.80) NPC1RAB9AMAPTKMT2ASMN1; SMN2
SCHEMBL3803935 0.73 RAB9A (0.79) NPC1RAB9AMAPTKMT2ASMN1; SMN2
SCHEMBL15900042 0.73 RAB9A (0.60) NPC1RAB9AMAPTKMT2ASMN1; SMN2
SCHEMBL3580537 0.72 KDR (0.61) NPC1RAB9ACDK2KMT2ASMN1; SMN2

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 7 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
CN-101208089-A Aminothiazole derivatives as human stearoyl-CoA desaturase inhibitors XENON PHARMACEUTICALS INC (CA) 2008-06-25 CN 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 NPC1 305/4885RAB9A 2428/4885MAPT 1788/4885
US-20130096056-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS SCD, SCD5, ACAT1 NPC1 298/4885RAB9A 2466/4885MAPT 1782/4885

“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.