SCHEMBL3585980

SCHEMBL3585980

Cc1ccccc1NC(=O)c1sc(NC(=O)c2ccc(F)cc2)nc1C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.59
KMT2A Q03164 6/20 0.59
ALDH1A1 P00352 4/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
HPGD P15428 2/20 0.59
CHRNA7 P36544 1/20 0.59
HSP90AA1 P07900 1/20 0.59
LCK P06239 2/20 0.58
NPC1 O15118 7/20 0.56
KDM4E B2RXH2 2/20 0.56
NPSR1 Q6W5P4 2/20 0.56
RXFP1 Q9HBX9 2/20 0.56
RAB9A P51151 8/20 0.54
NFKB1 P19838 1/20 0.53
HTT P42858 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
LMNA P02545 1/20 0.53
MEN1 O00255 3/20 0.52
GAA P10253 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
SCHEMBL3580403 0.91 RAB9A (0.67) ALOX5KMT2AALDH1A1SMN1; SMN2HPGD
SCHEMBL3590371 0.90 LCK (0.70) ALOX5KMT2AALDH1A1SMN1; SMN2HPGD
SCHEMBL3576234 0.88 LCK (0.58) KMT2AALDH1A1SMN1; SMN2HPGDCHRNA7
SCHEMBL3586630 0.86 ALDH1A1 (0.67) ALOX5KMT2AALDH1A1SMN1; SMN2HPGD
SCHEMBL3577371 0.84 MAPT (0.65) ALOX5KMT2AALDH1A1SMN1; SMN2CHRNA7
SCHEMBL5607983 0.84 CHRNA7 (0.60) KMT2AALDH1A1SMN1; SMN2CHRNA7HSP90AA1
SCHEMBL3589244 0.84 RAB9A (0.72) KMT2AALDH1A1SMN1; SMN2CHRNA7LCK
SCHEMBL16127890 0.82 MEN1 (0.77) KMT2AALDH1A1SMN1; SMN2HPGDNPC1
SCHEMBL28475672 0.81 RAB9A (0.80) ALOX5KMT2AALDH1A1SMN1; SMN2HPGD
SCHEMBL3595226 0.81 ALOX5 (0.64) ALOX5KMT2AALDH1A1SMN1; SMN2HPGD

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 10 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
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 ALOX5 243/4885KMT2A 1897/4885ALDH1A1 927/4885
US-20130096056-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS SCD, SCD5, ACAT1 ALOX5 250/4885KMT2A 1901/4885ALDH1A1 910/4885

“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.