SCHEMBL3587397

SCHEMBL3587397

CCNC(=O)c1sc(N)nc1C

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.72
NPC1 O15118 5/20 0.56
HPGD P15428 4/20 0.56
RAB9A P51151 3/20 0.55
KMT2A Q03164 1/20 0.55
LCK P06239 1/20 0.54
MAPT P10636 1/20 0.51
GAA P10253 2/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.45
CYP1A2 P05177 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
POLB P06746 3/20 0.44
UBE2N P61088 2/20 0.44
LMNA P02545 1/20 0.44
CHRM4 P08173 1/20 0.44
KDM4E B2RXH2 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
MAPK14 Q16539 1/20 0.42

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
SCHEMBL11698559 0.84 ALDH1A1 (0.64) ALDH1A1NPC1HPGDRAB9AKMT2A
SCHEMBL3001665 0.83 ALDH1A1 (0.68) ALDH1A1NPC1HPGDRAB9AKMT2A
SCHEMBL13754002 0.82 NPC1 (0.59) ALDH1A1NPC1HPGDRAB9AKMT2A
SCHEMBL20911243 0.82 ALDH1A1 (0.76) ALDH1A1NPC1HPGDRAB9AKMT2A
SCHEMBL9983388 0.79 ALDH1A1 (0.57) ALDH1A1NPC1HPGDRAB9AKMT2A
SCHEMBL3578356 0.79 ALDH1A1 (0.60) ALDH1A1NPC1HPGDRAB9AKMT2A
SCHEMBL12037086 0.78 ALDH1A1 (0.56) ALDH1A1NPC1HPGDRAB9AKMT2A
SCHEMBL13082000 0.77 NPC1 (0.64) ALDH1A1NPC1HPGDRAB9AKMT2A
SCHEMBL1984270 0.77 ALDH1A1 (0.59) ALDH1A1NPC1HPGDRAB9AKMT2A
SCHEMBL244826 0.77 SCD (0.64) ALDH1A1NPC1RAB9ACHRM4

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 305/4885HPGD 593/4885
US-20130096056-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS SCD, SCD5, ACAT1 ALDH1A1 910/4885NPC1 298/4885HPGD 588/4885

“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.