SCHEMBL12949385

SCHEMBL12949385

N#C/N=C(\NCCCCCCCN(CCCN1CCOCC1)S(=O)(=O)C1CCCCC1)Nc1ccncc1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 16/20 0.55
GAA P10253 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL13277460 1.00 NAMPT (0.55) NAMPTGAAALDH1A1
SCHEMBL13276891 1.00 NAMPT (0.55) NAMPTGAAALDH1A1
SCHEMBL13045640 1.00 NAMPT (0.55) NAMPTGAAALDH1A1
SCHEMBL13277282 0.99 NAMPT (0.54) NAMPTGAA
SCHEMBL13277628 0.99 NAMPT (0.54) NAMPTGAA
SCHEMBL13277281 0.99 NAMPT (0.54) NAMPTGAA
SCHEMBL13449941 0.99 NAMPT (0.54) NAMPTGAA
SCHEMBL13449949 0.99 NAMPT (0.54) NAMPTGAA
SCHEMBL13557043 0.94 NAMPT (0.47) NAMPT
SCHEMBL13277086 0.87 NAMPT (0.55) NAMPTGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120270900-A1 NOVEL METHOD OF TREATMENT TOPO TARGET A/S (DK) 2012-10-25 US disclosed
US-20120270900-A1 NOVEL METHOD OF TREATMENT TOPO TARGET A/S (DK) 2012-10-25 US disclosed
US-20120264755-A1 PYRIDINYL DERIVATIVES AS INHIBITORS OF ENZYME NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE TopoTarget (DE) 2012-10-18 US disclosed
WO-2011006988-A1 METHOD FOR PREDICTING THE UTILITY OF ADMINISTERING NICOTINIC ACID OR A PRECURSOR OR PRODRUG THEREOF TO REDUCE THE SEVERITY OF SIDE-EFFECTS OF CANCER TREATMENT WITH NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE INHIBITORS TOPOTARGET A/S (DK) 2011-01-20 WO disclosed
WO-2010142735-A1 PYRIDINYL DERIVATIVES AS INHIBITORS OF ENZYME NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE TOPOTARGET A/S (DK) 2010-12-16 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-20120270900-A1 NOVEL METHOD OF TREATMENT NAPRT, NAMPT, NNT NAMPT 2/4885GAA 1028/4885ALDH1A1 722/4885
US-20120264755-A1 PYRIDINYL DERIVATIVES AS INHIBITORS OF ENZYME NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE NAMPT, NAPRT, NNT NAMPT 1/4885GAA 1756/4885ALDH1A1 900/4885

“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.