SCHEMBL502806

SCHEMBL502806

Nc1ccc(Oc2ccc(Cl)nc2)cc1CNC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 1/20 0.39
KCNQ2 O43526 1/20 0.39
KCNE1 P15382 1/20 0.39
KCNQ1 P51787 1/20 0.39
CDK8 P49336 7/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
SCN9A Q15858 2/20 0.36
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
RAB9A P51151 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GCK P35557 1/20 0.34

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
SCHEMBL502888 0.81 MAPT (0.39) KCNQ3KCNQ2KCNE1KCNQ1NPC1
SCHEMBL502886 0.81 MAPT (0.39) KCNQ3KCNQ2KCNE1KCNQ1NPC1
SCHEMBL3487598 0.80 HTR2A (0.44) CDK8NPC1RAB9A
SCHEMBL3488176 0.79 TEAD4 (0.46) ALDH1A1GCK
SCHEMBL3487417 0.79 HTR2A (0.46) CDK8NPC1RAB9AMEN1KMT2A
SCHEMBL3488032 0.79 SLC6A4 (0.45) SCN9A
SCHEMBL3488332 0.78 GCK (0.46) SCN9AGCK
SCHEMBL3488403 0.78 SMN1; SMN2 (0.42) L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL3488380 0.78 RAF1 (0.44) ALDH1A1
SCHEMBL503266 0.77 SMN1; SMN2 (0.38) NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2404918-B1 PYRIDINE DERIVATIVE AS PPARY INHIBITOR DAIICHI SANKYO CO LTD (JP) 2016-11-30 EP disclosed
US-8946264-B2 Pyridine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-02-03 US disclosed
US-20130045994-A1 PYRIDINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-02-21 US disclosed
US-20120029026-A1 PYRIDINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-02-02 US disclosed
EP-2404918-A1 PYRIDINE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2012-01-11 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 (2 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-20120029026-A1 PYRIDINE DERIVATIVE PPARD, PPARG, PPARA KCNQ3 1906/4885KCNQ2 2021/4885KCNE1 1726/4885
US-20130045994-A1 PYRIDINE DERIVATIVE PPARD, PPARG, PPARA KCNQ3 1906/4885KCNQ2 2021/4885KCNE1 1726/4885

“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.