SCHEMBL3577535

SCHEMBL3577535

Cc1nc(NC(=O)C=Cc2ccccc2)sc1C(=O)O

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.78
ALDH1A1 P00352 6/20 0.78
NPSR1 Q6W5P4 4/20 0.78
KMT2A Q03164 4/20 0.78
RAB9A P51151 3/20 0.78
MEN1 O00255 3/20 0.78
LMNA P02545 2/20 0.74
KDM4E B2RXH2 7/20 0.70
MAPT P10636 3/20 0.70
HSP90AA1 P07900 1/20 0.70
RXFP1 Q9HBX9 1/20 0.67
SMN1; SMN2 Q16637 3/20 0.65
FSCN1 Q16658 1/20 0.61
PKM P14618 2/20 0.58
ALOX5 P09917 2/20 0.56
NPC1 O15118 1/20 0.53
TP53 P04637 1/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53

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
SCHEMBL3577530 1.00 HPGD (0.78) HPGDALDH1A1NPSR1KMT2ARAB9A
SCHEMBL3592126 0.88 ALDH1A1 (1.00) HPGDALDH1A1NPSR1KMT2ARAB9A
SCHEMBL3592122 0.88 ALDH1A1 (1.00) HPGDALDH1A1NPSR1KMT2ARAB9A
SCHEMBL4202722 0.87 HPGD (0.61) HPGDALDH1A1NPSR1KMT2ARAB9A
SCHEMBL3580424 0.85 MEN1 (0.80) HPGDALDH1A1NPSR1KMT2ARAB9A
SCHEMBL3580427 0.85 MEN1 (0.80) HPGDALDH1A1NPSR1KMT2ARAB9A
SCHEMBL27727719 0.84 HPGD (0.61) HPGDALDH1A1NPSR1KMT2ARAB9A
SCHEMBL3589298 0.84 NPSR1 (0.73) HPGDALDH1A1NPSR1KMT2ARAB9A
SCHEMBL3589303 0.84 NPSR1 (0.73) HPGDALDH1A1NPSR1KMT2ARAB9A
SCHEMBL3587475 0.83 ALDH1A1 (0.65) HPGDALDH1A1NPSR1KMT2ARAB9A

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 14 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
CN-101208089-A Aminothiazole derivatives as human stearoyl-CoA desaturase inhibitors XENON PHARMACEUTICALS INC (CA) 2008-06-25 CN 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
CN-101208089-A Aminothiazole derivatives as human stearoyl-CoA desaturase inhibitors XENON PHARMACEUTICALS INC (CA) 2008-06-25 CN 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 HPGD 593/4885ALDH1A1 927/4885NPSR1 4304/4885
US-20130096056-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS SCD, SCD5, ACAT1 HPGD 588/4885ALDH1A1 910/4885NPSR1 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.