SCHEMBL3579796

SCHEMBL3579796

Cc1ccc(C(=O)Nc2nc(C)c(C(=O)O)s2)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 12/20 0.79
RAB9A P51151 11/20 0.79
SMN1; SMN2 Q16637 6/20 0.79
KMT2A Q03164 5/20 0.79
ALDH1A1 P00352 5/20 0.79
RXFP1 Q9HBX9 5/20 0.63
NPSR1 Q6W5P4 4/20 0.63
KDM4E B2RXH2 4/20 0.61
MEN1 O00255 4/20 0.61
ALOX5 P09917 2/20 0.60
PKM P14618 2/20 0.60
TDP1 Q9NUW8 1/20 0.60
ADORA3 P0DMS8 1/20 0.60
ADORA2A P29274 1/20 0.60
ADORA1 P30542 1/20 0.60
LCK P06239 1/20 0.60
HPGD P15428 1/20 0.59
CASP3 P42574 1/20 0.59
SENP7 Q9BQF6 1/20 0.59
GAA P10253 2/20 0.58

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
SCHEMBL3582729 0.90 NPC1 (0.73) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL3588056 0.89 NPC1 (0.63) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL13982952 0.89 NPC1 (0.75) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL4915021 0.89 NPC1 (0.63) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL4346190 0.89 NPC1 (0.80) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL3595226 0.89 ALOX5 (0.64) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL3587162 0.87 NPC1 (0.73) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL3587369 0.87 NPC1 (0.81) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL3589387 0.87 SMN1; SMN2 (0.70) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL4199061 0.86 NPC1 (0.63) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1

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 12 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
EP-2029138-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS XENON PHARMACEUTICALS INC. (CA) 2009-03-04 EP claimed
WO-2007130075-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS XENON PHARMACEUTICALS INC. (CA) 2007-11-15 WO 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 NPC1 305/4885RAB9A 2428/4885SMN1; SMN2 1323/4885
US-20130096056-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS SCD, SCD5, ACAT1 NPC1 298/4885RAB9A 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.