SCHEMBL3587432

SCHEMBL3587432

Cc1nc(C(N)=O)sc1C(=O)NC1CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.61
CHRM4 P08173 2/20 0.52
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GRM1 Q13255 1/20 0.45
TAS1R3 Q7RTX0 3/20 0.44
TAS1R1 Q7RTX1 2/20 0.44
TAS1R2 Q8TE23 2/20 0.44
CYP3A4 P08684 2/20 0.44
MAPT P10636 2/20 0.44
HTR2B P41595 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
MAOB P27338 2/20 0.44
MAOA P21397 1/20 0.44
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43

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
SCHEMBL3587434 0.83 LMNA (0.64) LMNACHRM4ALDH1A1KDM4EPOLB
SCHEMBL3455901 0.82 LMNA (0.67) LMNACHRM4ALDH1A1KDM4EPOLB
SCHEMBL3591337 0.77 LMNA (0.79) LMNACHRM4ALDH1A1KDM4EPOLB
SCHEMBL3587497 0.76 LMNA (1.00) LMNACHRM4ALDH1A1KDM4EL3MBTL1
SCHEMBL3579425 0.74 LMNA (0.77) LMNACHRM4ALDH1A1POLBL3MBTL1
SCHEMBL3001664 0.72 ALDH1A1 (0.44) ALDH1A1KDM4EL3MBTL1MAPTKMT2A
SCHEMBL12788196 0.72 SMN1; SMN2 (0.69) LMNAALDH1A1CYP3A4MAPTMEN1
SCHEMBL2686289 0.72 CHRM4 (0.54) LMNACHRM4ALDH1A1KDM4EL3MBTL1
SCHEMBL3583994 0.71 LMNA (0.69) LMNAALDH1A1KDM4EMEN1CYP1A2
SCHEMBL11535600 0.71 LMNA (0.52) LMNACHRM4ALDH1A1KDM4ETAS1R3

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 12 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 claimed
US-20130096056-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS XENON PHARMACEUTICALS INC. (CA) 2013-04-18 US claimed
EP-2540296-A1 Arminothiazole derivatives as human stearoyl-coa desaturase inhibitors Xenon Pharmaceuticals Inc. (CA) 2013-01-02 EP claimed
US-20100152187-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS XENON PHARMACEUTICALS INC. (CA) 2010-06-17 US claimed
EP-2029138-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS XENON PHARMACEUTICALS INC. (CA) 2009-03-04 EP claimed
WO-2007130075-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS XENON PHARMACEUTICALS INC. (CA) 2007-11-15 WO claimed
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 LMNA 1423/4885CHRM4 4493/4885ALDH1A1 927/4885
US-20130096056-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS SCD, SCD5, ACAT1 LMNA 1399/4885CHRM4 4481/4885ALDH1A1 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.