SCHEMBL13045685

SCHEMBL13045685

O=C1c2ccccc2C(=O)N1CCCCCCCCN(CCCN1CCOCC1)S(=O)(=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
DRD3 P35462 1/20 0.51
DRD2 P14416 1/20 0.50
HTR6 P50406 1/20 0.50
LMNA P02545 1/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HTR7 P34969 1/20 0.47
MAOB P27338 2/20 0.46

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
SCHEMBL13046261 0.87 MEN1 (0.54) HTR1AMEN1KMT2ANPSR1DRD3
SCHEMBL13045689 0.83 HTR7 (0.61) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL13045338 0.83 HTR1A (0.47) HTR1AMEN1KMT2ANPSR1DRD3
SCHEMBL1703636 0.82 HTR1A (0.69) HTR1AMEN1KMT2ANPSR1DRD2
SCHEMBL13045669 0.82 HTR1A (0.50) HTR1AMEN1KMT2ANPSR1DRD3
SCHEMBL13045325 0.82 HTR1A (0.50) HTR1AMEN1KMT2ANPSR1DRD3
SCHEMBL8559799 0.82 HTR1A (0.69) HTR1AMEN1KMT2ANPSR1DRD2
SCHEMBL8559095 0.82 HTR1A (0.69) HTR1AMEN1KMT2ANPSR1DRD2
SCHEMBL8559706 0.82 HTR1A (0.69) HTR1AMEN1KMT2ANPSR1DRD2
SCHEMBL8554700 0.82 HTR1A (0.69) HTR1AMEN1KMT2ANPSR1DRD2

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 HTR1A 1298/4885MEN1 2746/4885KMT2A 1186/4885

“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.