SCHEMBL13047053

SCHEMBL13047053

CC(C)S(=O)(=O)N(CCCCCCCCNC(=N)Nc1ccncc1)OCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
NAMPT P43490 4/20 0.36
NPY5R Q15761 1/20 0.35
SIRT2 Q8IXJ6 7/20 0.34
SIRT1 Q96EB6 5/20 0.34
SIRT3 Q9NTG7 3/20 0.34
LMNA P02545 2/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL13046561 0.90 NAMPT (0.44) POLBNAMPTLMNAHTTALDH1A1
SCHEMBL13045644 0.90 POLB (0.41) POLBNAMPTSIRT2SIRT1SIRT3
SCHEMBL13047095 0.90 POLB (0.41) POLBNAMPTSIRT2SIRT1SIRT3
SCHEMBL13045696 0.90 POLB (0.41) POLBNAMPTSIRT2SIRT1SIRT3
SCHEMBL13046338 0.89 QPCT (0.42) POLBSIRT2SIRT1SIRT3LMNA
SCHEMBL13449943 0.84 IKBKB (0.38) POLBNAMPT
SCHEMBL13046673 0.82 NAMPT (0.45) NAMPTNPY5RALDH1A1CYP3A4
SCHEMBL13045695 0.82 NAMPT (0.45) NAMPTNPY5RALDH1A1CYP3A4
SCHEMBL13045387 0.81 MAPKAPK2 (0.47) CYP3A4
SCHEMBL13045700 0.80 NAMPT (0.35) NAMPT

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-20120264755-A1 PYRIDINYL DERIVATIVES AS INHIBITORS OF ENZYME NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE TopoTarget (DE) 2012-10-18 US 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 (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-20120264755-A1 PYRIDINYL DERIVATIVES AS INHIBITORS OF ENZYME NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE NAMPT, NAPRT, NNT POLB 1516/4885NAMPT 1/4885NPY5R 964/4885

“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.