SCHEMBL3582775

SCHEMBL3582775

CCOC(=O)CNC(=O)c1sc(NC(=O)c2ccc(OC)cc2)nc1C

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.80
LMNA P02545 2/20 0.80
RXFP1 Q9HBX9 7/20 0.74
NPC1 O15118 6/20 0.74
NPSR1 Q6W5P4 6/20 0.74
KDM4E B2RXH2 8/20 0.68
RAB9A P51151 3/20 0.65
PKM P14618 1/20 0.65
SMN1; SMN2 Q16637 6/20 0.61
HSP90AA1 P07900 1/20 0.61
KMT2A Q03164 2/20 0.60
MEN1 O00255 1/20 0.60
ALOX5 P09917 2/20 0.58
HTT P42858 1/20 0.56
CSNK1D P48730 1/20 0.54
DUSP3 P51452 1/20 0.53
HPGD P15428 2/20 0.52
PPARG P37231 1/20 0.52
PTK2B Q14289 1/20 0.52
NCOA2 Q15596 1/20 0.52

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
SCHEMBL3587669 0.89 ALDH1A1 (0.80) ALDH1A1LMNARXFP1NPC1NPSR1
SCHEMBL3586012 0.89 ALDH1A1 (1.00) ALDH1A1LMNARXFP1NPC1NPSR1
SCHEMBL3591347 0.88 KDM4E (0.79) ALDH1A1LMNARXFP1NPC1NPSR1
SCHEMBL3596627 0.84 ALDH1A1 (0.69) ALDH1A1LMNARXFP1NPC1NPSR1
SCHEMBL27727669 0.82 NPC1 (0.66) ALDH1A1LMNARXFP1NPC1NPSR1
SCHEMBL3585911 0.81 KDM4E (1.00) ALDH1A1LMNARXFP1NPC1NPSR1
SCHEMBL5762397 0.81 SMN1; SMN2 (0.73) ALDH1A1LMNANPC1RAB9APKM
SCHEMBL3582967 0.80 SCD (0.67) ALDH1A1LMNARXFP1NPC1NPSR1
SCHEMBL28476359 0.80 NPC1 (0.78) ALDH1A1LMNARXFP1NPC1NPSR1
SCHEMBL3587162 0.80 NPC1 (0.73) ALDH1A1LMNARXFP1NPC1NPSR1

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 ALDH1A1 927/4885LMNA 1423/4885RXFP1 2584/4885
US-20130096056-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS SCD, SCD5, ACAT1 ALDH1A1 910/4885LMNA 1399/4885RXFP1 2601/4885

“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.