SCHEMBL3583695

SCHEMBL3583695

Cc1nc(NC(=O)C2(c3ccccc3)CCCC2)sc1C(=O)NCc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCD O00767 10/20 0.67
LCK P06239 1/20 0.55
ALDH1A1 P00352 3/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
LMNA P02545 2/20 0.48
PKM P14618 1/20 0.48
GSK3A P49840 1/20 0.47
GSK3B P49841 1/20 0.47
USP2 O75604 1/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ERCC1 P07992 1/20 0.45
ERCC4 Q92889 1/20 0.45

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
SCHEMBL3585084 0.80 SCD (1.00) SCDLCKALDH1A1NPC1RAB9A
SCHEMBL3584809 0.80 SCD (0.82) SCDLCKALDH1A1NPC1RAB9A
SCHEMBL3593957 0.80 SCD (0.64) SCDLCKALDH1A1NPC1RAB9A
SCHEMBL3583154 0.79 SCD (0.76) SCDLCKALDH1A1NPC1RAB9A
SCHEMBL3589885 0.79 SCD (0.69) SCDLCKALDH1A1NPC1RAB9A
SCHEMBL3588023 0.79 SCD (0.69) SCDLCKALDH1A1NPC1RAB9A
SCHEMBL3579438 0.78 SCD (0.79) SCDLCKALDH1A1NPC1RAB9A
SCHEMBL3585102 0.78 SCD (0.71) SCDLCKALDH1A1NPC1RAB9A
SCHEMBL3591341 0.78 SCD (0.67) SCDLCKALDH1A1NPC1RAB9A
SCHEMBL3583788 0.78 SCD (0.74) SCDLCKALDH1A1NPC1RAB9A

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 6 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
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 SCD 1/4885LCK 3020/4885ALDH1A1 927/4885
US-20130096056-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS SCD, SCD5, ACAT1 SCD 1/4885LCK 3013/4885ALDH1A1 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.