SCHEMBL3583994

SCHEMBL3583994

Cc1ccc(C(=O)Nc2nc(C)c(C(=O)NC3CCCCC3)s2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.69
NPC1 O15118 6/20 0.64
RAB9A P51151 6/20 0.64
SMN1; SMN2 Q16637 5/20 0.64
ALDH1A1 P00352 5/20 0.64
KMT2A Q03164 4/20 0.64
HPGD P15428 4/20 0.61
CYP1A2 P05177 1/20 0.61
CYP2C19 P33261 1/20 0.61
KDM4E B2RXH2 3/20 0.58
CASP3 P42574 1/20 0.58
SENP7 Q9BQF6 1/20 0.58
RXFP1 Q9HBX9 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
MEN1 O00255 2/20 0.51
ALOX5 P09917 2/20 0.51
LCK P06239 1/20 0.50
HSP90AA1 P07900 1/20 0.48
GAA P10253 1/20 0.48
KIFC1 Q9BW19 1/20 0.47

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
SCHEMBL3586165 0.91 LMNA (0.66) LMNANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3582787 0.90 NPC1 (0.66) LMNANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3592945 0.87 RAB9A (0.67) LMNANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3585707 0.83 KMT2A (0.67) LMNANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3591337 0.83 LMNA (0.79) LMNANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3587497 0.82 LMNA (1.00) LMNANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3584908 0.81 LMNA (0.62) LMNANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3579425 0.80 LMNA (0.77) LMNANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3579796 0.79 NPC1 (0.79) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL178426 0.78 NPC1 (1.00) LMNANPC1RAB9ASMN1; SMN2KMT2A

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 1423/4885NPC1 305/4885RAB9A 2428/4885
US-20130096056-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS SCD, SCD5, ACAT1 LMNA 1399/4885NPC1 298/4885RAB9A 2466/4885

“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.