SCHEMBL3580925

SCHEMBL3580925

CCOC(=O)c1sc(NC(=O)c2ccccc2)nc1-c1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.78
MEN1 O00255 3/20 0.78
CYP1A2 P05177 1/20 0.78
CYP2C9 P11712 1/20 0.78
CYP2C19 P33261 1/20 0.78
KDM4E B2RXH2 3/20 0.73
ADORA1 P30542 3/20 0.73
NPSR1 Q6W5P4 2/20 0.73
ADORA2A P29274 2/20 0.73
PPARG P37231 1/20 0.73
NCOA2 Q15596 1/20 0.73
NCOA1 Q15788 1/20 0.73
RXFP1 Q9HBX9 1/20 0.73
GSTO1 P78417 1/20 0.72
HTT P42858 3/20 0.72
DHODH Q02127 7/20 0.71
SMN1; SMN2 Q16637 5/20 0.70
ALDH1A1 P00352 3/20 0.70
NPC1 O15118 1/20 0.70
RAB9A P51151 1/20 0.70

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
SCHEMBL23742097 0.89 HTT (0.75) KMT2AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL15064976 0.88 MEN1 (1.00) KMT2AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL13944335 0.87 MEN1 (0.73) KMT2AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL3584407 0.86 SMN1; SMN2 (0.80) KMT2AMEN1KDM4ENPSR1RXFP1
SCHEMBL2302641 0.86 MEN1 (0.66) KMT2AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL28721843 0.85 DHODH (0.77) KMT2AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL7933989 0.85 MEN1 (0.77) KMT2AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL8556757 0.84 MEN1 (0.66) KMT2AMEN1CYP1A2CYP2C9CYP2C19
Bromide SCHEMBL7142168 0.84 MEN1 (0.75) KMT2AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL2318449 0.84 MEN1 (0.75) KMT2AMEN1CYP1A2CYP2C9CYP2C19

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 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
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
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
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 KMT2A 1897/4885MEN1 4846/4885CYP1A2 817/4885
US-20130096056-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS SCD, SCD5, ACAT1 KMT2A 1901/4885MEN1 4846/4885CYP1A2 830/4885

“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.