SCHEMBL3587381

SCHEMBL3587381

Cc1nc(NC(=O)C=Cc2ccccc2)sc1C(=O)Nc1cccnc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.82
HPGD P15428 9/20 0.82
KMT2A Q03164 6/20 0.82
MEN1 O00255 5/20 0.82
NPSR1 Q6W5P4 4/20 0.82
KDM4E B2RXH2 5/20 0.71
LMNA P02545 3/20 0.71
MAPT P10636 5/20 0.71
HSP90AA1 P07900 1/20 0.66
RAB9A P51151 6/20 0.64
NPC1 O15118 4/20 0.64
RXFP1 Q9HBX9 1/20 0.61
SMN1; SMN2 Q16637 4/20 0.53
HTT P42858 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
PPARG P37231 3/20 0.52
NCOA2 Q15596 3/20 0.52
NCOA1 Q15788 3/20 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
SCHEMBL3587380 1.00 ALDH1A1 (0.82) ALDH1A1HPGDKMT2AMEN1NPSR1
SCHEMBL3592122 0.90 ALDH1A1 (1.00) ALDH1A1HPGDKMT2AMEN1NPSR1
SCHEMBL3592126 0.90 ALDH1A1 (1.00) ALDH1A1HPGDKMT2AMEN1NPSR1
SCHEMBL27706950 0.82 HPGD (0.58) ALDH1A1HPGDKMT2AMEN1NPSR1
SCHEMBL3577530 0.81 HPGD (0.78) ALDH1A1HPGDKMT2AMEN1NPSR1
SCHEMBL3577535 0.81 HPGD (0.78) ALDH1A1HPGDKMT2AMEN1NPSR1
SCHEMBL3580424 0.81 MEN1 (0.80) ALDH1A1HPGDKMT2AMEN1NPSR1
SCHEMBL3580427 0.81 MEN1 (0.80) ALDH1A1HPGDKMT2AMEN1NPSR1
SCHEMBL21593633 0.80 RAB9A (1.00) ALDH1A1HPGDKMT2AMEN1KDM4E
SCHEMBL16180694 0.80 RAB9A (1.00) ALDH1A1HPGDKMT2AMEN1KDM4E

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.