SCHEMBL3587933

SCHEMBL3587933

COc1cccc(NC(=O)c2sc(N)nc2C)c1

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.74
NPC1 O15118 8/20 0.68
RAB9A P51151 8/20 0.68
MAPT P10636 2/20 0.64
CLK1 P49759 1/20 0.64
KMT2A Q03164 3/20 0.62
CISD2 Q8N5K1 1/20 0.62
ALDH1A1 P00352 3/20 0.57
GAA P10253 1/20 0.57
MAPK1 P28482 1/20 0.57
SMN1; SMN2 Q16637 3/20 0.56
TP53 P04637 2/20 0.56
MEN1 O00255 1/20 0.56
RXFP1 Q9HBX9 2/20 0.56
PKM P14618 2/20 0.55
NLRP3 Q96P20 1/20 0.54
LCK P06239 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
THRB P10828 1/20 0.54

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
SCHEMBL3587931 0.85 POLB (0.71) POLBNPC1RAB9AMAPTCLK1
SCHEMBL15096727 0.85 POLB (1.00) POLBNPC1RAB9AMAPTCLK1
SCHEMBL3586328 0.84 RAB9A (0.77) POLBNPC1RAB9AMAPTKMT2A
SCHEMBL3595563 0.84 L3MBTL1 (0.77) POLBNPC1RAB9AMAPTKMT2A
SCHEMBL42334 0.83 RAB9A (0.97) POLBNPC1RAB9AMAPTKMT2A
SCHEMBL1539906 0.79 LCK (0.60) POLBNPC1RAB9AMAPTKMT2A
SCHEMBL15096728 0.78 NPC1 (0.69) POLBNPC1RAB9AMAPTCLK1
SCHEMBL19831002 0.78 RAB9A (0.70) POLBNPC1RAB9AMAPTCLK1
Trifluoroacetic Acid SCHEMBL6104602 0.76 RAB9A (0.82) POLBNPC1RAB9AMAPTKMT2A
SCHEMBL1540033 0.76 LCK (0.74) NPC1RAB9AKMT2AALDH1A1GAA

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 POLB 3214/4885NPC1 305/4885RAB9A 2428/4885
US-20130096056-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS SCD, SCD5, ACAT1 POLB 3199/4885NPC1 298/4885RAB9A 2466/4885

“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.