SCHEMBL3451114

SCHEMBL3451114

CCCCCCN(C)c1ccc(-c2cc(C(=O)O)ccn2)cc1C#N

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.65
KDM5A P29375 2/20 0.51
KDM5C P41229 1/20 0.48
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
KMO O15229 1/20 0.42
KDM5B Q9UGL1 1/20 0.39
PTPN11 Q06124 1/20 0.39

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
SCHEMBL14384406 0.88 XDH (0.53) XDHKDM5AKDM5CKMOKDM5B
SCHEMBL13722439 0.83 XDH (0.56) XDHKDM5CKMO
SCHEMBL13722581 0.82 XDH (0.59) XDHKDM5AKDM5CKMOKDM5B
SCHEMBL14384168 0.78 XDH (0.52) XDHKDM5CKMO
SCHEMBL3586842 0.75 KDM4E (0.40) XDH
SCHEMBL4345222 0.71 XDH (0.40) XDHALDH1A1
SCHEMBL13123372 0.71 XDH (0.36) XDH
SCHEMBL1329694 0.70 XDH (0.54) XDHKDM5CKMO
SCHEMBL14384227 0.70 XDH (0.54) XDHKMO
SCHEMBL1331290 0.70 XDH (0.52) XDHKDM5CKMO

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1783116-B1 2-PHENYLPYRIDINE DERIVATIVE ASTELLAS PHARMA INC (JP) 2009-08-26 EP claimed
US-20070275950-A1 2-Phenylpyridine Derivative ASTELLAS PHARMA INC. (JP) 2007-11-29 US claimed
US-7820700-B2 2-phenylpyridine derivative ASTELLAS PHARMA INC. (JP) 2010-10-26 US disclosed
EP-1783116-B1 2-PHENYLPYRIDINE DERIVATIVE ASTELLAS PHARMA INC (JP) 2009-08-26 EP disclosed
US-20070275950-A1 2-Phenylpyridine Derivative ASTELLAS PHARMA INC. (JP) 2007-11-29 US disclosed
EP-1783116-A1 2-PHENYLPYRIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2007-05-09 EP 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-20070275950-A1 2-Phenylpyridine Derivative NLRP3, XDH, UACA XDH 2/4885KDM5A 969/4885KDM5C 1164/4885

“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.