SCHEMBL10459

SCHEMBL10459

O=Cc1ccc(-c2ccc3ncsc3c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 8/20 0.55
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
HKDC1 Q2TB90 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
FFAR1 O14842 1/20 0.45
DYRK1B Q9Y463 7/20 0.45
DYRK2 Q92630 6/20 0.45
CLK1 P49759 6/20 0.45
CSNK2A2 P19784 2/20 0.45
CSNK2B P67870 2/20 0.45
CSNK2A1 P68400 2/20 0.45
CLK4 Q9HAZ1 4/20 0.44
PIK3CA P42336 2/20 0.44
PIK3CD O00329 1/20 0.44
PRKCB P05771 1/20 0.44
PIK3CG P48736 1/20 0.44
HASPIN Q8TF76 1/20 0.44

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
SCHEMBL1418925 0.86 DYRK1A (0.52) DYRK1AKDM4ENPC1RAB9AHKDC1
SCHEMBL31214345 0.84 DYRK1A (0.72) DYRK1AKDM4ENPC1RAB9AHKDC1
SCHEMBL6032917 0.79 DYRK1A (0.62) DYRK1AKDM4ENPC1RAB9AHKDC1
SCHEMBL24155396 0.77 DYRK1A (0.60) DYRK1AKDM4ENPC1RAB9AHKDC1
SCHEMBL22130152 0.77 DYRK1A (0.70) DYRK1AKDM4ENPC1RAB9AHKDC1
SCHEMBL6658073 0.77 DYRK1A (0.60) DYRK1AKDM4ENPC1RAB9AHKDC1
SCHEMBL16573976 0.77 DYRK1A (0.60) DYRK1AKDM4ENPC1RAB9AHKDC1
SCHEMBL27558183 0.77 DYRK1A (0.60) DYRK1AKDM4ENPC1RAB9AHKDC1
Cyanide SCHEMBL22130131 0.76 DYRK1A (0.51) DYRK1AKDM4ENPC1RAB9AHKDC1
SCHEMBL1419323 0.75 CYP2A6 (0.47) DYRK1AKDM4ENPC1RAB9AHKDC1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2493310-A1 BENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GlaxoSmithKline LLC (US) 2012-09-05 EP disclosed
US-20120208827-A1 BENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC 2012-08-16 US disclosed
US-20120208827-A1 BENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC 2012-08-16 US disclosed
US-20120208827-A1 BENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC 2012-08-16 US disclosed
WO-2011056635-A1 BENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2011-05-12 WO disclosed
WO-2011056635-A1 BENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2011-05-12 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 (1 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-20120208827-A1 BENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS FASN, FADS1, FADS2 DYRK1A 4469/4885KDM4E 1624/4885NPC1 1247/4885

“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.