SCHEMBL3590332

SCHEMBL3590332

Cc1nc(NC(=O)c2ccncc2)sc1C(=O)NCc1ccc(Cl)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.61
RAB9A P51151 2/20 0.61
NPSR1 Q6W5P4 1/20 0.61
RXFP1 Q9HBX9 1/20 0.61
SMN1; SMN2 Q16637 2/20 0.59
KDM4E B2RXH2 1/20 0.59
HTT P42858 1/20 0.59
TP53 P04637 2/20 0.56
THRB P10828 1/20 0.56
SCD O00767 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.54
MAPT P10636 2/20 0.53
CLK1 P49759 1/20 0.53
CYP3A4 P08684 1/20 0.52
MAPK14 Q16539 1/20 0.52
PPARD Q03181 1/20 0.52
PPARA Q07869 1/20 0.52
NAMPT P43490 2/20 0.50
ALDH1A1 P00352 2/20 0.50
LMNA P02545 1/20 0.50

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
SCHEMBL3587853 0.89 SCD (0.70) NPC1RAB9ANPSR1SMN1; SMN2KDM4E
SCHEMBL3589229 0.88 SCD (0.69) NPC1RAB9ANPSR1RXFP1SMN1; SMN2
SCHEMBL3583154 0.82 SCD (0.76) NPC1RAB9ANPSR1SMN1; SMN2SCD
SCHEMBL3587305 0.81 NPC1 (0.61) NPC1RAB9ANPSR1RXFP1SMN1; SMN2
SCHEMBL3577608 0.80 SCD (0.67) NPC1RAB9ANPSR1RXFP1SMN1; SMN2
SCHEMBL3583599 0.80 SCD (0.70) NPC1RAB9ANPSR1RXFP1SMN1; SMN2
SCHEMBL3587287 0.79 SCD (0.65) NPC1RAB9ANPSR1RXFP1SMN1; SMN2
SCHEMBL3580760 0.79 SCD (0.65) NPC1RAB9ASMN1; SMN2KDM4ETHRB
SCHEMBL3585413 0.79 SCD (0.62) NPC1RAB9ANPSR1RXFP1SMN1; SMN2
SCHEMBL3589788 0.79 SCD (0.71) NPC1RAB9ANPSR1RXFP1SMN1; 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 15 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-8541457-B2 Aminothiazole derivatives as human stearoyl-CoA desaturase inhibitors XENON PHARMACEUTICALS INC. (CA) 2013-09-24 US disclosed
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
US-20130096056-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS XENON PHARMACEUTICALS INC. (CA) 2013-04-18 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
US-20100152187-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS XENON PHARMACEUTICALS INC. (CA) 2010-06-17 US disclosed
US-20100152187-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS XENON PHARMACEUTICALS INC. (CA) 2010-06-17 US 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 2428/4885NPSR1 4304/4885
US-20130096056-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS SCD, SCD5, ACAT1 NPC1 298/4885RAB9A 2466/4885NPSR1 4292/4885

“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.