SCHEMBL3584381

SCHEMBL3584381

CCN(CC)Cc1nc(N)sc1C(=O)NCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 3/20 0.48
CYP2D6 P10635 1/20 0.48
ALDH1A1 P00352 3/20 0.47
HPGD P15428 2/20 0.47
ALOX15 P16050 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CYP2C19 P33261 2/20 0.47
CYP2C9 P11712 1/20 0.47
SCD O00767 3/20 0.45
CDC7 O00311 1/20 0.44
CCNE1 P24864 1/20 0.44
CDK2 P24941 1/20 0.44
DBF4 Q9UBU7 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
PTGS2 P35354 1/20 0.43
KDM4E B2RXH2 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
SCHEMBL4500326 0.83 SCD (0.47) CHRM4ALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL3583303 0.83 CHRM4 (0.55) CHRM4CYP2D6ALDH1A1HPGDALOX15
SCHEMBL3591548 0.83 CYP2D6 (0.54) CHRM4CYP2D6ALDH1A1HPGDALOX15
SCHEMBL3580738 0.82 SCD (0.52) ALDH1A1HPGDSMN1; SMN2LMNANPSR1
SCHEMBL3592976 0.79 SCD (0.49) ALDH1A1HPGDSMN1; SMN2LMNANPSR1
SCHEMBL244826 0.79 SCD (0.64) CHRM4CYP2D6ALDH1A1SCD
SCHEMBL3588576 0.73 ALDH1A1 (0.57) CYP2D6ALDH1A1HPGDALOX15SMN1; SMN2
SCHEMBL3579180 0.73 CYP2D6 (0.52) CHRM4CYP2D6ALDH1A1HPGDALOX15
SCHEMBL13068465 0.72 CYP2D6 (0.51) CHRM4CYP2D6ALDH1A1HPGDALOX15
SCHEMBL12660839 0.71 CHRM4 (0.58) CHRM4CYP2D6ALDH1A1HPGDALOX15

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 CHRM4 4493/4885CYP2D6 871/4885ALDH1A1 927/4885
US-20130096056-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS SCD, SCD5, ACAT1 CHRM4 4481/4885CYP2D6 865/4885ALDH1A1 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.