SCHEMBL13047026

SCHEMBL13047026

CS(=O)(=O)N(CCCCCCN)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
MAOA P21397 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
CYP19A1 P11511 1/20 0.38
MC4R P32245 1/20 0.35
MC5R P33032 1/20 0.35
MC3R P41968 1/20 0.35

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
SCHEMBL13046946 1.00 CA1 (0.39) CA1CA2CA9MAOAL3MBTL1
SCHEMBL13045626 1.00 CA1 (0.39) CA1CA2CA9MAOAL3MBTL1
SCHEMBL13045594 0.85 CA1 (0.36) CA1CA2CA9MAOAL3MBTL1
SCHEMBL13045373 0.78 ACHE (0.57) L3MBTL1
SCHEMBL13045578 0.78 ACHE (0.57) L3MBTL1
SCHEMBL13045719 0.78 ACHE (0.57) L3MBTL1
SCHEMBL1703710 0.75 MAOA (0.42) MAOAL3MBTL1
SCHEMBL11763516 0.75 CA1 (0.39) CA1CA2CA9L3MBTL1CYP19A1
SCHEMBL9775314 0.74 L3MBTL1 (0.52) L3MBTL1MC4RMC5RMC3R
SCHEMBL1389365 0.74 CA1 (0.39) CA1CA2CA9MAOACYP19A1

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 4 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
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 CA1 4618/4885CA2 3095/4885CA9 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.