SCHEMBL3583803

SCHEMBL3583803

COc1cc(C(=O)Nc2nc(C)c(C(=O)Nc3ccccc3)s2)cc(OC)c1OC

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.65
KMT2A Q03164 6/20 0.65
ALDH1A1 P00352 6/20 0.65
MAPT P10636 4/20 0.65
KDM4E B2RXH2 3/20 0.65
ALOX5 P09917 1/20 0.64
CLK1 P49759 1/20 0.60
RAB9A P51151 3/20 0.60
NPC1 O15118 2/20 0.60
SMN1; SMN2 Q16637 5/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C9 P11712 1/20 0.58
HTT P42858 1/20 0.58
HPGD P15428 2/20 0.57
LCK P06239 1/20 0.55
TP53 P04637 1/20 0.55
NPSR1 Q6W5P4 1/20 0.54
RECQL P46063 1/20 0.54

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
SCHEMBL3580464 0.87 ALOX5 (0.60) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL3596004 0.86 HPGD (0.64) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL3590314 0.84 RAB9A (0.75) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL3588787 0.83 SMN1; SMN2 (0.72) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL707585 0.82 MEN1 (0.89) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL3588845 0.80 ALDH1A1 (0.70) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL774205 0.80 MAPT (0.81) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL4192316 0.79 SMN1; SMN2 (0.57) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL3584908 0.79 LMNA (0.62) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL4926060 0.79 MAPT (1.00) MEN1KMT2AALDH1A1MAPTKDM4E

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 MEN1 4846/4885KMT2A 1897/4885ALDH1A1 927/4885
US-20130096056-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS SCD, SCD5, ACAT1 MEN1 4846/4885KMT2A 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.