SCHEMBL7963203

SCHEMBL7963203

CC(=O)Cn1cc(CNC(C)=O)nn1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.49
NPSR1 Q6W5P4 1/20 0.45
ALOX15 P16050 1/20 0.43
FNTA P49354 3/20 0.39
FNTB P49356 3/20 0.39
GLS O94925 1/20 0.36

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
SCHEMBL19662980 0.85 NOTUM (0.50) NOTUMNPSR1ALOX15
SCHEMBL25884344 0.84 NOTUM (0.49) NOTUMNPSR1ALOX15GLS
SCHEMBL27015707 0.84 TGM2 (0.37) NOTUMFNTAFNTB
SCHEMBL15257810 0.82 CA1 (0.54)
SCHEMBL24256389 0.81 NOTUM (0.47) NOTUMNPSR1ALOX15
SCHEMBL25882774 0.81 NOTUM (0.47) NOTUMNPSR1ALOX15GLS
SCHEMBL24812463 0.80 GBA1 (0.53) NOTUMGLS
SCHEMBL15257804 0.80 CA12 (0.36) NOTUMFNTAFNTB
SCHEMBL18235987 0.80 POLB (0.38) NOTUM
SCHEMBL29324043 0.79 NOTUM (0.45) NOTUMNPSR1ALOX15GLS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150079618-A1 METHODS AND COMPOUNDS FOR IDENTIFYING GLYCOSYLTRANSFERASE INHIBITORS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-03-19 US disclosed
WO-2009141240-A1 NOVEL DUAL TARGETING ANTITUMOURAL CONJUGATES SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2009-11-26 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-20150079618-A1 METHODS AND COMPOUNDS FOR IDENTIFYING GLYCOSYLTRANSFERASE INHIBITORS MAGT1, GALNT1, NMT1 NOTUM 483/4885NPSR1 4211/4885ALOX15 1967/4885

“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.