SCHEMBL502665

SCHEMBL502665

COc1ccc(COc2ccc([N+](=O)[O-])c(N(C)C(=O)O)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
POLB P06746 1/20 0.47
RAB9A P51151 1/20 0.47
CYP19A1 P11511 1/20 0.47
SLC2A1 P11166 2/20 0.46
TLR4 O00206 1/20 0.46
TLR2 O60603 1/20 0.46
FFAR1 O14842 1/20 0.45
MAPT P10636 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SMPD1 P17405 1/20 0.43
MAOB P27338 2/20 0.43
PLA2G4B P0C869 1/20 0.43
BACE1 P56817 1/20 0.42

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
SCHEMBL3488424 0.84 MERTK (0.44) SMN1; SMN2NPC1POLBRAB9AMAPT
SCHEMBL502833 0.81 RAB9A (0.51) SMN1; SMN2NPC1POLBRAB9AFFAR1
SCHEMBL3487473 0.79 NPSR1 (0.41) SMN1; SMN2MAPTMEN1KMT2ALMNA
SCHEMBL3489726 0.79 AKR1C3 (0.45) SMN1; SMN2NPC1POLBRAB9AMAPT
SCHEMBL503298 0.78 SLC2A1 (0.46) SMN1; SMN2NPC1POLBRAB9ASLC2A1
SCHEMBL6703682 0.78 BACE1 (0.46) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL2987569 0.77 TLR4 (0.53) SMN1; SMN2NPC1POLBRAB9ACYP19A1
SCHEMBL3487922 0.77 POLB (0.41) SMN1; SMN2NPC1POLBRAB9AMAPT
SCHEMBL25337966 0.76 APP (0.53) SMN1; SMN2NPC1POLBRAB9ACYP19A1
SCHEMBL572373 0.76 PTGES (0.55) SMN1; SMN2NPC1RAB9ACYP19A1TLR4

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 SMN1; SMN2 3411/4885NPC1 216/4885POLB 4061/4885
US-20130045994-A1 PYRIDINE DERIVATIVE PPARD, PPARG, PPARA SMN1; SMN2 3411/4885NPC1 216/4885POLB 4061/4885

“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.