SCHEMBL13050396

SCHEMBL13050396

O=Cc1cccc(-c2n[nH]c(=O)o2)c1

nearest known ligand 0.63

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 20/20 0.63

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
SCHEMBL18395243 0.78 NOTUM (1.00) NOTUM
SCHEMBL2291570 0.78 NOTUM (0.67) NOTUM
SCHEMBL13050395 0.78 NOTUM (0.67) NOTUM
SCHEMBL8270247 0.78 NOTUM (1.00) NOTUM
SCHEMBL13874852 0.77 NOTUM (0.54) NOTUM
SCHEMBL5542637 0.76 NOTUM (1.00) NOTUM
SCHEMBL13050398 0.75 NOTUM (0.51) NOTUM
SCHEMBL18395694 0.74 NOTUM (1.00) NOTUM
SCHEMBL4392841 0.74 NOTUM (0.68) NOTUM
SCHEMBL19736897 0.74 NOTUM (0.74) NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100292282-A1 SYNTHESIS AND CRYSTALLINE FORMS OF CB-1 ANTAGONIST/INVERSE AGONIST MERCK & CO., INC. 2010-11-18 US disclosed
US-20100292282-A1 SYNTHESIS AND CRYSTALLINE FORMS OF CB-1 ANTAGONIST/INVERSE AGONIST MERCK & CO., INC. 2010-11-18 US disclosed
WO-2009054923-A2 SYNTHESIS AND CRYSTALLINE FORMS OF CB-1 ANTAGONIST/INVERSE AGONIST MERCK & CO., INC. (US) 2009-04-30 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-20100292282-A1 SYNTHESIS AND CRYSTALLINE FORMS OF CB-1 ANTAGONIST/INVERSE AGONIST CNR1, ARRB1, CNR2 NOTUM 3895/4885

“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.