SCHEMBL3578356

SCHEMBL3578356

Cc1nc(N)sc1C(=O)NCCC#N

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.60
NPC1 O15118 6/20 0.48
RAB9A P51151 4/20 0.48
KMT2A Q03164 2/20 0.48
LCK P06239 1/20 0.47
MAPT P10636 3/20 0.44
GAA P10253 2/20 0.41
MAPK1 P28482 1/20 0.41
POLB P06746 5/20 0.39
UBE2N P61088 5/20 0.39
LMNA P02545 1/20 0.39
KDM4E B2RXH2 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
HPGD P15428 2/20 0.37
HTT P42858 1/20 0.37
CYP1A2 P05177 1/20 0.36
MEN1 O00255 1/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL3001665 0.82 ALDH1A1 (0.68) ALDH1A1NPC1RAB9AKMT2ALCK
SCHEMBL11698559 0.79 ALDH1A1 (0.64) ALDH1A1NPC1RAB9AKMT2ALCK
SCHEMBL3587397 0.79 ALDH1A1 (0.72) ALDH1A1NPC1RAB9AKMT2ALCK
SCHEMBL20911243 0.74 ALDH1A1 (0.76) ALDH1A1NPC1RAB9AKMT2ALCK
SCHEMBL12725861 0.72 CYP1A2 (0.67) ALDH1A1NPC1RAB9AKMT2AMAPT
SCHEMBL9529702 0.71 CTSV (0.51) ALDH1A1NPC1RAB9AKMT2AMAPT
SCHEMBL13082000 0.70 NPC1 (0.64) ALDH1A1NPC1RAB9AKMT2ALCK
SCHEMBL1984270 0.70 ALDH1A1 (0.59) ALDH1A1NPC1RAB9AKMT2ALCK
SCHEMBL244826 0.70 SCD (0.64) ALDH1A1NPC1RAB9A
SCHEMBL9983388 0.69 ALDH1A1 (0.57) ALDH1A1NPC1RAB9AKMT2ALCK

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 5 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 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
CN-101208089-A Aminothiazole derivatives as human stearoyl-CoA desaturase inhibitors XENON PHARMACEUTICALS INC (CA) 2008-06-25 CN 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 927/4885NPC1 305/4885RAB9A 2428/4885
US-20130096056-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS SCD, SCD5, ACAT1 ALDH1A1 910/4885NPC1 298/4885RAB9A 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.