SCHEMBL3590997

SCHEMBL3590997

COC(=O)c1ccc(C(=O)Nc2nc3c(s2)C(=O)NCC(C)(C)C3)s1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 16/20 0.67
NPC1 O15118 6/20 0.67
SMN1; SMN2 Q16637 5/20 0.67
RAB9A P51151 5/20 0.67
KDM4E B2RXH2 3/20 0.67
TP53 P04637 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.48
ATAD2 Q6PL18 1/20 0.48
MAP2K2 P36507 1/20 0.48
MAP2K1 Q02750 1/20 0.48
TSHR P16473 1/20 0.43
HTT P42858 2/20 0.42
HIF1A Q16665 1/20 0.42
HPGD P15428 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
LMNA P02545 1/20 0.40

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
SCHEMBL3588586 0.81 ALDH1A1 (1.00) ALDH1A1NPC1SMN1; SMN2RAB9AKDM4E
SCHEMBL3589439 0.78 ALDH1A1 (0.69) ALDH1A1NPC1SMN1; SMN2RAB9AKDM4E
SCHEMBL3589713 0.77 ALDH1A1 (1.00) ALDH1A1NPC1SMN1; SMN2RAB9AKDM4E
SCHEMBL302929 0.67 ATAD2 (0.70) ALDH1A1NPC1SMN1; SMN2RAB9AKDM4E
SCHEMBL303321 0.66 ATAD2 (1.00) ALDH1A1NPC1SMN1; SMN2RAB9AKDM4E
SCHEMBL2072823 0.66 ATAD2 (0.68) ALDH1A1NPC1SMN1; SMN2RAB9AKDM4E
SCHEMBL504084 0.66 PIK3CD (0.70) ALDH1A1NPC1SMN1; SMN2RAB9AKDM4E
SCHEMBL14433818 0.65 ALDH1A1 (0.52) ALDH1A1NPC1SMN1; SMN2RAB9AKDM4E
SCHEMBL12415755 0.64 ATAD2 (0.65) ALDH1A1NPC1SMN1; SMN2RAB9AKDM4E
SCHEMBL34475688 0.63 SMN1; SMN2 (0.35) ALDH1A1NPC1SMN1; SMN2RAB9AKDM4E

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 8 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

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 ALDH1A1 927/4885NPC1 305/4885SMN1; SMN2 1323/4885
US-20130096056-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS SCD, SCD5, ACAT1 ALDH1A1 910/4885NPC1 298/4885SMN1; SMN2 1277/4885

“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.