SCHEMBL3583303

SCHEMBL3583303

CNCc1nc(N)sc1C(=O)NCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 2/20 0.55
CYP2D6 P10635 1/20 0.52
ALDH1A1 P00352 3/20 0.51
HPGD P15428 2/20 0.51
ALOX15 P16050 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HSD17B10 Q99714 1/20 0.51
CYP2C19 P33261 2/20 0.50
CYP2C9 P11712 1/20 0.50
SCD O00767 5/20 0.48
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CDC7 O00311 1/20 0.47
CCNE1 P24864 1/20 0.47
CDK2 P24941 1/20 0.47
DBF4 Q9UBU7 1/20 0.47
PTGS2 P35354 1/20 0.46
L3MBTL1 Q9Y468 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
SCHEMBL3591548 0.90 CYP2D6 (0.54) CHRM4CYP2D6ALDH1A1HPGDALOX15
SCHEMBL3584381 0.83 CHRM4 (0.48) CHRM4CYP2D6ALDH1A1HPGDALOX15
SCHEMBL244826 0.83 SCD (0.64) CHRM4CYP2D6ALDH1A1SCD
SCHEMBL3584310 0.78 SCD (0.53) CHRM4ALDH1A1HPGDSMN1; SMN2CYP2C19
SCHEMBL3588576 0.77 ALDH1A1 (0.57) CYP2D6ALDH1A1HPGDALOX15SMN1; SMN2
SCHEMBL3579180 0.77 CYP2D6 (0.52) CHRM4CYP2D6ALDH1A1HPGDALOX15
SCHEMBL13068465 0.76 CYP2D6 (0.51) CHRM4CYP2D6ALDH1A1HPGDALOX15
SCHEMBL12660839 0.75 CHRM4 (0.58) CHRM4CYP2D6ALDH1A1HPGDALOX15
SCHEMBL13082000 0.72 NPC1 (0.64) CHRM4ALDH1A1HPGDSMN1; SMN2SCD
SCHEMBL3585289 0.72 SMN1; SMN2 (0.47) ALDH1A1HPGDSMN1; SMN2HSD17B10LMNA

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 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.