SCHEMBL13047095

SCHEMBL13047095

CS(=O)(=O)N(CCCCCCCNC(=N)Nc1ccncc1)OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
LMNA P02545 2/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
NAMPT P43490 5/20 0.35
KDM4E B2RXH2 1/20 0.34
SIRT2 Q8IXJ6 5/20 0.34
SIRT1 Q96EB6 3/20 0.34
SIRT3 Q9NTG7 3/20 0.34
ALDH1A1 P00352 1/20 0.34
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
CYP19A1 P11511 1/20 0.34
ACKR3 P25106 1/20 0.34

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
SCHEMBL13045696 1.00 POLB (0.41) POLBLMNAMAPTHTTNAMPT
SCHEMBL13045644 1.00 POLB (0.41) POLBLMNAMAPTHTTNAMPT
SCHEMBL13045700 0.90 NAMPT (0.35) NAMPT
SCHEMBL13047053 0.90 POLB (0.39) POLBLMNAHTTNAMPTKDM4E
SCHEMBL13046383 0.89 ROCK2 (0.46) POLBLMNAHTTNAMPTKDM4E
SCHEMBL13045691 0.89 ROCK2 (0.46) POLBLMNAHTTNAMPTKDM4E
SCHEMBL13046680 0.89 ROCK2 (0.46) POLBLMNAHTTNAMPTKDM4E
SCHEMBL13045457 0.88 QPCT (0.43) POLBLMNAMAPTALDH1A1
SCHEMBL13045698 0.88 QPCT (0.43) POLBLMNAMAPTALDH1A1
SCHEMBL13045896 0.88 QPCT (0.43) POLBLMNAMAPTALDH1A1

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 1516/4885LMNA 1563/4885MAPT 1902/4885

“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.