SCHEMBL13047058

SCHEMBL13047058

CCN(CCCCCCCCNC(=S)Nc1ccncc1)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 4/20 0.48
KMT2A Q03164 3/20 0.45
LMNA P02545 2/20 0.45
GAA P10253 2/20 0.45
MAPT P10636 2/20 0.45
CA9 Q16790 1/20 0.44
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LSS P48449 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HRH2 P25021 1/20 0.42
NPC1 O15118 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
RAB9A P51151 1/20 0.41

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
Oxalic Acid SCHEMBL1703427 0.96 QPCT (0.45) QPCTKMT2ALMNAGAAMAPT
SCHEMBL13045422 0.88 EPHX1 (0.50) KMT2ALMNAALDH1A1HTT
SCHEMBL13045457 0.83 QPCT (0.43) QPCTKMT2ALMNAGAAMAPT
SCHEMBL13045698 0.83 QPCT (0.43) QPCTKMT2ALMNAGAAMAPT
SCHEMBL13045896 0.83 QPCT (0.43) QPCTKMT2ALMNAGAAMAPT
SCHEMBL13277243 0.82 IKBKB (0.41) QPCT
SCHEMBL13277242 0.82 IKBKB (0.41) QPCT
SCHEMBL13046338 0.81 QPCT (0.42) QPCTKMT2ALMNAGAAMAPT
SCHEMBL1703429 0.80 POLB (0.43) LMNAGAAMAPTALDH1A1SMN1; SMN2
SCHEMBL7901763 0.77 KMT2A (0.71) KMT2ALMNAGAAMAPTCA9

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 3 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
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 QPCT 37/4885KMT2A 1186/4885LMNA 1563/4885

“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.