SCHEMBL13045689

SCHEMBL13045689

NCCCCCCCCN(CCCN1CCOCC1)S(=O)(=O)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 4/20 0.61
ALDH1A1 P00352 9/20 0.52
KDM4E B2RXH2 5/20 0.52
GAA P10253 3/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CA12 O43570 2/20 0.50
CA9 Q16790 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
HPGD P15428 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
BMP1 P13497 1/20 0.47
EPHX2 P34913 2/20 0.47
CA1 P00915 1/20 0.47

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
SCHEMBL13045685 0.83 HTR1A (0.53) HTR7ALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL13771142 0.80 NAMPT (0.51) HTR7ALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL13046971 0.79 NAMPT (0.52) ALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL13045681 0.78 SMN1; SMN2 (0.53) ALDH1A1KDM4EGAASMN1; SMN2CA12
SCHEMBL13046587 0.76 NAMPT (0.59) ALDH1A1KDM4EGAASMN1; SMN2CA12
SCHEMBL13277159 0.76 ALDH1A1 (0.42) HTR7ALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL13045399 0.76 NAMPT (0.49) ALDH1A1KDM4EGAASMN1; SMN2CA12
SCHEMBL13045753 0.75 PLK1 (0.46) ALDH1A1KDM4EGAASMN1; SMN2CA12
SCHEMBL28713850 0.75 MEN1 (0.56) ALDH1A1KDM4EGAASMN1; SMN2CA12
SCHEMBL11530025 0.74 KMT2A (0.82) HTR7ALDH1A1SMN1; SMN2MEN1KMT2A

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 HTR7 2683/4885ALDH1A1 900/4885KDM4E 2913/4885

“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.