SCHEMBL3591548

SCHEMBL3591548

Nc1nc(Cc2ccccc2)c(C(=O)NCc2ccccc2)s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.54
CHRM4 P08173 2/20 0.54
CDC7 O00311 1/20 0.52
CCNE1 P24864 1/20 0.52
CDK2 P24941 1/20 0.52
DBF4 Q9UBU7 1/20 0.52
SCD O00767 6/20 0.52
CYP2C19 P33261 2/20 0.52
CYP2C9 P11712 1/20 0.52
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
ALOX15 P16050 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HSD17B10 Q99714 1/20 0.50
PTGS2 P35354 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KLKB1 P03952 1/20 0.47
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL3583303 0.90 CHRM4 (0.55) CYP2D6CHRM4CDC7CCNE1CDK2
SCHEMBL3584381 0.83 CHRM4 (0.48) CYP2D6CHRM4CDC7CCNE1CDK2
SCHEMBL3585289 0.83 SMN1; SMN2 (0.47) CDC7DBF4ALDH1A1HPGDSMN1; SMN2
SCHEMBL244826 0.82 SCD (0.64) CYP2D6CHRM4SCDALDH1A1KLKB1
SCHEMBL3593166 0.80 SCD (0.55) CDC7CCNE1CDK2DBF4SCD
SCHEMBL3588576 0.79 ALDH1A1 (0.57) CYP2D6SCDCYP2C19CYP2C9ALDH1A1
SCHEMBL3579180 0.79 CYP2D6 (0.52) CYP2D6CHRM4CDC7CCNE1CDK2
SCHEMBL13068465 0.78 CYP2D6 (0.51) CYP2D6CHRM4CDC7CCNE1CDK2
SCHEMBL3573692 0.77 SCD (0.57) CYP2D6CDC7CCNE1CDK2DBF4
SCHEMBL12660839 0.74 CHRM4 (0.58) CYP2D6CHRM4CDC7CCNE1CDK2

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 4 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

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 CYP2D6 871/4885CHRM4 4493/4885CDC7 2997/4885
US-20130096056-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS SCD, SCD5, ACAT1 CYP2D6 865/4885CHRM4 4481/4885CDC7 3015/4885

“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.