SCHEMBL3044748

SCHEMBL3044748

CCNc1nc(-c2ccc(NC(=O)NCc3cccnc3)cc2)ccc1C(=O)OCC

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.64
POLB P06746 2/20 0.57
NAMPT P43490 11/20 0.55
GAA P10253 1/20 0.52
MEN1 O00255 2/20 0.50

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
SCHEMBL3052906 0.89 POLB (0.58) KMT2APOLBNAMPTMEN1
SCHEMBL3058637 0.89 POLB (0.58) KMT2APOLBNAMPTMEN1
SCHEMBL3057477 0.88 POLB (0.57) KMT2APOLBNAMPTMEN1
SCHEMBL3054341 0.88 POLB (0.56) KMT2APOLBNAMPTMEN1
SCHEMBL3060592 0.87 POLB (0.55) KMT2APOLBNAMPTMEN1
SCHEMBL3055841 0.87 POLB (0.55) KMT2APOLBNAMPTMEN1
SCHEMBL3042684 0.86 POLB (0.54) KMT2APOLBNAMPTMEN1
SCHEMBL3048670 0.85 POLB (0.52) KMT2APOLBNAMPTMEN1
SCHEMBL3052786 0.85 POLB (0.53) KMT2APOLBNAMPTMEN1
SCHEMBL3049938 0.84 POLB (0.52) KMT2APOLBNAMPTMEN1

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
US-20100222319-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-09-02 US claimed
EP-2205566-A2 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2010-07-14 EP claimed
WO-2009074749-A2 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-06-18 WO claimed
US-20100222319-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-09-02 US disclosed
EP-2205566-A2 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2010-07-14 EP disclosed
WO-2009074749-A2 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-06-18 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-20100222319-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF NNT, NAMPT, NQO1 KMT2A 1349/4885POLB 1463/4885NAMPT 2/4885

“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.