SCHEMBL6230

SCHEMBL6230

O=Cc1ccc(-c2ccc3occc3c2)cc1

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.73
DYRK1A Q13627 6/20 0.59
CDK9 P50750 1/20 0.53
CA2 P00918 9/20 0.53
CA12 O43570 8/20 0.53
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA7 P36544 1/20 0.43
KMO O15229 1/20 0.43
FFAR1 O14842 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
SCHEMBL719619 0.85 CYP2A6 (1.00) CYP2A6DYRK1ACDK9CA2CA12
SCHEMBL1602484 0.79 DYRK1A (0.69) DYRK1ACDK9CA2CA12CHRNB4
SCHEMBL15504108 0.76 DYRK1A (0.65) DYRK1ACDK9CA2CA12CHRNB4
SCHEMBL28135391 0.76 DYRK1A (0.65) DYRK1ACDK9CA2CA12CHRNB4
SCHEMBL27741085 0.76 DYRK1A (0.65) CYP2A6DYRK1ACDK9CA2CA12
SCHEMBL18002713 0.75 CYP2A6 (0.49) CYP2A6DYRK1ACDK9CA2CA12
SCHEMBL6829643 0.74 DYRK1A (1.00) DYRK1ACDK9CA2CA12CHRNB4
SCHEMBL28275725 0.74 DYRK1A (0.62) CYP2A6DYRK1ACDK9CA2CA12
SCHEMBL6265 0.73 CYP2A6 (0.51) CYP2A6DYRK1ACDK9CA2CA12
SCHEMBL29951028 0.73 CYP2A6 (0.71) CYP2A6

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
EP-3587406-B1 2-HYDROXY-1-{4-[(4-PHENYLPHENYL)CARBONYL]PIPERAZIN-1-YL}ETHAN-1-ONE DERIVATIVES AND RELATED COMPOUNDS AS FATTY ACID SYNTHASE (FASN) INHIBITORS FOR THE TREATMENT OF CANCER FORMA THERAPEUTICS INC (US) 2021-01-27 EP disclosed
US-20120295915-A1 AZABENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC 2012-11-22 US disclosed
EP-2503890-A1 AZABENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GlaxoSmithKline LLC (US) 2012-10-03 EP disclosed
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-2011066211-A1 AZABENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2011-06-03 WO 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 (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-20120208827-A1 BENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS FASN, FADS1, FADS2 CYP2A6 436/4885DYRK1A 4469/4885CDK9 1434/4885
US-20120295915-A1 AZABENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS FASN, FADS1, COASY CYP2A6 456/4885DYRK1A 3805/4885CDK9 1533/4885

“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.