SCHEMBL13045896

SCHEMBL13045896

CS(=O)(=O)N(CCCCCCCCNC(=S)Nc1ccncc1)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 3/20 0.43
KMT2A Q03164 2/20 0.43
CA9 Q16790 1/20 0.42
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 2/20 0.42
POLB P06746 1/20 0.41
LSS P48449 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HRH2 P25021 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
DUSP3 P51452 1/20 0.40
PTPN11 Q06124 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40

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
SCHEMBL13045457 1.00 QPCT (0.43) QPCTKMT2ACA9ALDH1A1SMN1; SMN2
SCHEMBL13045698 1.00 QPCT (0.43) QPCTKMT2ACA9ALDH1A1SMN1; SMN2
SCHEMBL13046651 0.90 QPCT (0.41) QPCTKMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL13046338 0.90 QPCT (0.42) QPCTKMT2ACA9ALDH1A1SMN1; SMN2
SCHEMBL13046383 0.89 ROCK2 (0.46) KMT2AALDH1A1LMNAPOLB
SCHEMBL13045691 0.89 ROCK2 (0.46) KMT2AALDH1A1LMNAPOLB
SCHEMBL13046680 0.89 ROCK2 (0.46) KMT2AALDH1A1LMNAPOLB
SCHEMBL13045644 0.88 POLB (0.41) ALDH1A1LMNAPOLBMAPT
SCHEMBL13045696 0.88 POLB (0.41) ALDH1A1LMNAPOLBMAPT
SCHEMBL13047095 0.88 POLB (0.41) ALDH1A1LMNAPOLBMAPT

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-20120264755-A1 PYRIDINYL DERIVATIVES AS INHIBITORS OF ENZYME NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE TopoTarget (DE) 2012-10-18 US claimed
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
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 1186/4885CA9 3516/4885

“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.