SCHEMBL13045690

SCHEMBL13045690

O=S(=O)(NOC1CCCCC1)c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
RECQL P46063 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KMT2A Q03164 4/20 0.46
MEN1 O00255 2/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
MMP13 P45452 1/20 0.44
ALDH1A1 P00352 5/20 0.44
HTT P42858 2/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
MAP2K4 P45985 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
GAA P10253 3/20 0.43

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
SCHEMBL4873295 0.81 ALDH1A1 (0.50) KDM4ESMN1; SMN2KMT2ACA1CA2
SCHEMBL4872482 0.79 MMP1 (0.51) KDM4ERECQLSMN1; SMN2KMT2ACA1
SCHEMBL14842346 0.78 SMN1; SMN2 (0.79) KDM4ERECQLSMN1; SMN2KMT2AMEN1
SCHEMBL14780378 0.76 ENPP3 (0.48) KDM4EKMT2AMEN1CA1CA2
SCHEMBL12332792 0.76 SMN1; SMN2 (0.81) KDM4ERECQLSMN1; SMN2KMT2AMEN1
SCHEMBL4867769 0.75 KDM4E (0.44) KDM4ERECQLSMN1; SMN2KMT2AMEN1
SCHEMBL14779304 0.74 ENPP3 (0.47) KMT2AMEN1CA1CA2MMP1
SCHEMBL4869318 0.74 ALDH1A1 (0.51) KDM4ERECQLSMN1; SMN2KMT2AMMP1
SCHEMBL28111321 0.73 SMN1; SMN2 (0.75) KDM4ERECQLSMN1; SMN2KMT2AMEN1
SCHEMBL2372170 0.72 SMN1; SMN2 (0.68) KDM4ERECQLSMN1; SMN2KMT2ACA1

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 KDM4E 2913/4885RECQL 1536/4885SMN1; SMN2 2224/4885

“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.