SCHEMBL3582787

SCHEMBL3582787

Cc1nc(NC(=O)c2ccc(C(C)(C)C)cc2)sc1C(=O)NC1CCCCC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.66
RAB9A P51151 6/20 0.66
KMT2A Q03164 6/20 0.66
KDM4E B2RXH2 4/20 0.66
MEN1 O00255 4/20 0.66
LMNA P02545 3/20 0.65
ALDH1A1 P00352 7/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
RXFP1 Q9HBX9 3/20 0.49
NPSR1 Q6W5P4 2/20 0.49
EPHX1 P07099 1/20 0.49
EPHX2 P34913 1/20 0.49
MAP3K5 Q99683 1/20 0.48
HPGD P15428 4/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C19 P33261 1/20 0.48
CASP3 P42574 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
DHODH Q02127 1/20 0.46
HSP90AA1 P07900 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
SCHEMBL3583994 0.90 LMNA (0.69) NPC1RAB9AKMT2AKDM4EMEN1
SCHEMBL3586165 0.88 LMNA (0.66) NPC1RAB9AKMT2AKDM4EMEN1
SCHEMBL3592945 0.82 RAB9A (0.67) NPC1RAB9AKMT2AKDM4EMEN1
SCHEMBL3585707 0.80 KMT2A (0.67) NPC1RAB9AKMT2AKDM4EMEN1
SCHEMBL3591337 0.80 LMNA (0.79) NPC1RAB9AKMT2AKDM4EMEN1
SCHEMBL27902309 0.80 RAB9A (1.00) NPC1RAB9AKMT2AKDM4EMEN1
SCHEMBL3587369 0.80 NPC1 (0.81) NPC1RAB9AKMT2AKDM4EMEN1
SCHEMBL3595679 0.79 KMT2A (0.58) NPC1RAB9AKMT2AKDM4EMEN1
SCHEMBL3587497 0.79 LMNA (1.00) NPC1RAB9AKMT2AKDM4EMEN1
SCHEMBL3584908 0.79 LMNA (0.62) NPC1RAB9AKMT2AKDM4EMEN1

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 NPC1 305/4885RAB9A 2428/4885KMT2A 1897/4885
US-20130096056-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS SCD, SCD5, ACAT1 NPC1 298/4885RAB9A 2466/4885KMT2A 1901/4885

“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.