SCHEMBL3588845

SCHEMBL3588845

Cc1ccc(C(=O)Nc2nc(C)c(C(=O)Nc3ccccc3)s2)cc1

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.70
SMN1; SMN2 Q16637 6/20 0.70
RAB9A P51151 5/20 0.70
NPC1 O15118 4/20 0.70
MAPT P10636 4/20 0.70
KMT2A Q03164 3/20 0.70
HTT P42858 4/20 0.67
CYP1A2 P05177 1/20 0.67
CYP3A4 P08684 1/20 0.67
CYP2C9 P11712 1/20 0.67
LCK P06239 3/20 0.67
HPGD P15428 2/20 0.65
KDM4E B2RXH2 2/20 0.65
CASP3 P42574 1/20 0.65
SENP7 Q9BQF6 1/20 0.65
RECQL P46063 1/20 0.63
MEN1 O00255 2/20 0.62
NPSR1 Q6W5P4 1/20 0.62
LMNA P02545 1/20 0.61
ADORA3 P0DMS8 1/20 0.60

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
SCHEMBL3590314 0.93 RAB9A (0.75) ALDH1A1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL3585022 0.90 RAB9A (0.67) ALDH1A1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL16607190 0.90 MAPT (0.67) ALDH1A1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL3586630 0.90 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL3582296 0.89 RAB9A (0.72) ALDH1A1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL3581760 0.87 NAMPT (0.70) ALDH1A1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL774205 0.86 MAPT (0.81) ALDH1A1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL3583248 0.86 RAB9A (0.61) ALDH1A1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL3579796 0.85 NPC1 (0.79) ALDH1A1SMN1; SMN2RAB9ANPC1KMT2A
SCHEMBL3580403 0.85 RAB9A (0.67) ALDH1A1SMN1; SMN2RAB9ANPC1KMT2A

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 927/4885SMN1; SMN2 1323/4885RAB9A 2428/4885
US-20130096056-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS SCD, SCD5, ACAT1 ALDH1A1 910/4885SMN1; SMN2 1277/4885RAB9A 2466/4885

“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.