SCHEMBL502888

SCHEMBL502888

O=C(O)NCc1cc(Oc2ccc(Cl)nc2)ccc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
KCNQ3 O43525 1/20 0.37
KCNQ2 O43526 1/20 0.37
KCNE1 P15382 1/20 0.37
KCNQ1 P51787 1/20 0.37
APP P05067 1/20 0.37
PLA2G1B P04054 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
ALDH1A1 P00352 4/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL502886 1.00 MAPT (0.39) MAPTSMN1; SMN2NPC1RAB9ACYP3A4
SCHEMBL3487632 0.82 RAB9A (0.46) MAPTSMN1; SMN2NPC1RAB9ACYP3A4
SCHEMBL3487627 0.82 RAB9A (0.46) MAPTSMN1; SMN2NPC1RAB9ACYP3A4
SCHEMBL502806 0.81 KCNQ3 (0.39) NPC1RAB9AMEN1KMT2AKCNQ3
SCHEMBL3487910 0.80 HSPB1 (0.46) MAPTSMN1; SMN2NPC1RAB9ACYP3A4
SCHEMBL3488700 0.80 KMT2A (0.44) MAPTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL3487917 0.80 HSPB1 (0.46) MAPTSMN1; SMN2NPC1RAB9ACYP3A4
SCHEMBL3488697 0.80 KMT2A (0.44) MAPTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL3488422 0.80 PTPN1 (0.48) MAPTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL3488427 0.80 PTPN1 (0.48) MAPTSMN1; SMN2NPC1RAB9AMEN1

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 MAPT 4072/4885SMN1; SMN2 3411/4885NPC1 216/4885
US-20130045994-A1 PYRIDINE DERIVATIVE PPARD, PPARG, PPARA MAPT 4072/4885SMN1; SMN2 3411/4885NPC1 216/4885

“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.