SCHEMBL3591337

SCHEMBL3591337

CC(=O)Nc1nc(C)c(C(=O)NC2CCCCC2)s1

nearest known ligand 0.79

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.79
ALDH1A1 P00352 3/20 0.56
HPGD P15428 2/20 0.56
PI4KB Q9UBF8 2/20 0.53
LCK P06239 1/20 0.52
CHRM4 P08173 1/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
TAS1R3 Q7RTX0 2/20 0.43
TAS1R2 Q8TE23 2/20 0.43
TAS1R1 Q7RTX1 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
SCHEMBL3587497 0.88 LMNA (1.00) LMNAALDH1A1HPGDLCKCHRM4
SCHEMBL3579425 0.86 LMNA (0.77) LMNAALDH1A1HPGDCHRM4NPC1
SCHEMBL3583994 0.83 LMNA (0.69) LMNAALDH1A1HPGDLCKNPC1
SCHEMBL3455901 0.81 LMNA (0.67) LMNAALDH1A1HPGDCHRM4NPC1
SCHEMBL3586165 0.81 LMNA (0.66) LMNAALDH1A1HPGDLCKNPC1
SCHEMBL3583279 0.81 LMNA (0.66) LMNACHRM4NPC1RAB9AMEN1
SCHEMBL3582787 0.80 NPC1 (0.66) LMNAALDH1A1HPGDLCKNPC1
SCHEMBL3592945 0.79 RAB9A (0.67) LMNAALDH1A1HPGDLCKNPC1
SCHEMBL3587434 0.79 LMNA (0.64) LMNAALDH1A1LCKCHRM4NPC1
SCHEMBL3584908 0.78 LMNA (0.62) LMNAALDH1A1HPGDCHRM4NPC1

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 10 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
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 1423/4885ALDH1A1 927/4885HPGD 593/4885
US-20130096056-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS SCD, SCD5, ACAT1 LMNA 1399/4885ALDH1A1 910/4885HPGD 588/4885

“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.