SCHEMBL3587162

SCHEMBL3587162

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

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.73
RXFP1 Q9HBX9 5/20 0.73
NPSR1 Q6W5P4 4/20 0.73
ALDH1A1 P00352 4/20 0.73
KDM4E B2RXH2 4/20 0.66
SMN1; SMN2 Q16637 4/20 0.66
HSP90AA1 P07900 1/20 0.66
HPGD P15428 1/20 0.65
PPARG P37231 1/20 0.65
PTK2B Q14289 1/20 0.65
NCOA2 Q15596 1/20 0.65
NCOA1 Q15788 1/20 0.65
NR2E3 Q9Y5X4 1/20 0.65
NCOR2 Q9Y618 1/20 0.65
NCOA3 Q9Y6Q9 1/20 0.65
ALOX5 P09917 2/20 0.65
RAB9A P51151 5/20 0.65
DUSP3 P51452 1/20 0.62
KMT2A Q03164 3/20 0.61
TP53 P04637 1/20 0.61

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
SCHEMBL28476359 0.89 NPC1 (0.78) NPC1RXFP1NPSR1ALDH1A1KDM4E
SCHEMBL3579796 0.87 NPC1 (0.79) NPC1RXFP1NPSR1ALDH1A1KDM4E
SCHEMBL4196070 0.87 NPC1 (0.61) NPC1RXFP1NPSR1ALDH1A1KDM4E
Cyclohexane Carboxamide SCHEMBL4191525 0.87 NPC1 (0.58) NPC1RXFP1NPSR1ALDH1A1KDM4E
SCHEMBL3582729 0.86 NPC1 (0.73) NPC1RXFP1NPSR1ALDH1A1KDM4E
SCHEMBL3595226 0.85 ALOX5 (0.64) NPC1RXFP1NPSR1ALDH1A1KDM4E
SCHEMBL4915021 0.85 NPC1 (0.63) NPC1RXFP1NPSR1ALDH1A1KDM4E
SCHEMBL3588056 0.85 NPC1 (0.63) NPC1RXFP1NPSR1ALDH1A1KDM4E
SCHEMBL4346190 0.85 NPC1 (0.80) NPC1RXFP1NPSR1ALDH1A1KDM4E
SCHEMBL3591591 0.85 NPC1 (0.64) NPC1ALDH1A1KDM4ESMN1; SMN2HPGD

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 305/4885RXFP1 2584/4885NPSR1 4304/4885
US-20130096056-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS SCD, SCD5, ACAT1 NPC1 298/4885RXFP1 2601/4885NPSR1 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.