SCHEMBL476457

SCHEMBL476457

CCNN1CCCCCC1

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 1/20 0.30
GNAO1 P09471 1/20 0.30
GNAI1 P63096 1/20 0.30

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
SCHEMBL1477624 1.00
Water SCHEMBL28006863 0.97
SCHEMBL906315 0.97
Water SCHEMBL28816146 0.94
SCHEMBL6284240 0.91
SCHEMBL2357618 0.84
Hydrochloric Acid SCHEMBL11556182 0.81
SCHEMBL1238549 0.78 GNAI3 (0.41) GNAI3GNAO1GNAI1
Ethane SCHEMBL4231792 0.76 GNAI3 (0.39) GNAI3GNAO1GNAI1
Water SCHEMBL28818080 0.76 GNAI3 (0.39) GNAI3GNAO1GNAI1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120094986-A1 ANTICANCER DERIVIATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2012-04-19 US disclosed
WO-2012038904-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-03-29 WO disclosed
US-20120053170-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF AS ANTICANCER DRUGS SANOFI (FR) 2012-03-01 US disclosed
EP-2411364-A1 ANTICANCER COMPOUNDS, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-02-01 EP disclosed
EP-2411367-A1 ANTICANCER DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-02-01 EP disclosed
EP-2411368-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF AS ANTICANCER DRUGS SANOFI (FR) 2012-02-01 EP disclosed
WO-2010109122-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF AS ANTICANCER DRUGS SANOFI-AVENTIS (FR) 2010-09-30 WO disclosed
WO-2010109123-A1 ANTICANCER DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-09-30 WO disclosed
WO-2010109115-A1 ANTICANCER COMPOUNDS, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-09-30 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 (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-20120053170-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF AS ANTICANCER DRUGS NAMPT, NNT, NQO1 GNAI3 833/4885GNAO1 693/4885GNAI1 554/4885
US-20120094986-A1 ANTICANCER DERIVIATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF NAMPT, NQO1, NNT GNAI3 1326/4885GNAO1 1786/4885GNAI1 1261/4885

“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.