SCHEMBL3590253

SCHEMBL3590253

Cc1nc(NC(=O)C=Cc2ccccc2)sc1C(=O)Nc1ccc2c(c1)CCC2

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.73
HPGD P15428 7/20 0.73
KMT2A Q03164 6/20 0.73
NPSR1 Q6W5P4 4/20 0.73
MEN1 O00255 4/20 0.73
KDM4E B2RXH2 6/20 0.69
LMNA P02545 5/20 0.69
MAPT P10636 6/20 0.69
SMN1; SMN2 Q16637 8/20 0.64
CASP3 P42574 1/20 0.64
SENP7 Q9BQF6 1/20 0.64
HSP90AA1 P07900 2/20 0.62
RAB9A P51151 5/20 0.58
RXFP1 Q9HBX9 1/20 0.57
TRPV1 Q8NER1 1/20 0.49
NPC1 O15118 3/20 0.48
NFKB1 P19838 2/20 0.48
NFKB2 Q00653 2/20 0.48
RELA Q04206 2/20 0.48
RECQL P46063 1/20 0.48

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
SCHEMBL3590252 1.00 ALDH1A1 (0.73) ALDH1A1HPGDKMT2ANPSR1MEN1
SCHEMBL3592126 0.85 ALDH1A1 (1.00) ALDH1A1HPGDKMT2ANPSR1MEN1
SCHEMBL3592122 0.85 ALDH1A1 (1.00) ALDH1A1HPGDKMT2ANPSR1MEN1
SCHEMBL3588677 0.82 SMN1; SMN2 (0.77) ALDH1A1HPGDKMT2ANPSR1MEN1
SCHEMBL3587604 0.81 SMN1; SMN2 (0.71) ALDH1A1HPGDKMT2ANPSR1MEN1
SCHEMBL3584406 0.79 ALDH1A1 (0.72) ALDH1A1HPGDKMT2AMEN1KDM4E
SCHEMBL3584590 0.79 SMN1; SMN2 (0.72) ALDH1A1HPGDKMT2AMEN1KDM4E
SCHEMBL3587099 0.79 SMN1; SMN2 (0.73) ALDH1A1HPGDKMT2AMEN1KDM4E
SCHEMBL3587381 0.79 ALDH1A1 (0.82) ALDH1A1HPGDKMT2ANPSR1MEN1
SCHEMBL3587380 0.79 ALDH1A1 (0.82) ALDH1A1HPGDKMT2ANPSR1MEN1

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 927/4885HPGD 593/4885KMT2A 1897/4885
US-20130096056-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS SCD, SCD5, ACAT1 ALDH1A1 910/4885HPGD 588/4885KMT2A 1901/4885

“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.