SCHEMBL502833

SCHEMBL502833

COc1ccc(COc2ccc(N)c(N(C)C(=O)O)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.51
NPC1 O15118 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
POLB P06746 1/20 0.51
FFAR1 O14842 5/20 0.49
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
SMPD1 P17405 1/20 0.46
PLA2G4B P0C869 1/20 0.46
MAOB P27338 2/20 0.44
TP53 P04637 1/20 0.44
PKM P14618 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PPARG P37231 1/20 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
SCHEMBL3455019 0.85 ALDH1A1 (0.44) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL3488383 0.82 PARP10 (0.45) SMN1; SMN2
SCHEMBL502665 0.81 SMN1; SMN2 (0.47) RAB9ANPC1SMN1; SMN2POLBFFAR1
SCHEMBL3487615 0.76 SMN1; SMN2 (0.51) SMN1; SMN2POLBFFAR1ALDH1A1HTT
SCHEMBL3487574 0.76 SMN1; SMN2 (0.40) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL7246421 0.76 MAOB (0.44) MAOB
SCHEMBL3489386 0.74 ALDH1A1 (0.40) SMN1; SMN2POLBALDH1A1HTT
SCHEMBL6543782 0.74 PARP10 (0.42) SMN1; SMN2ALDH1A1
SCHEMBL29249355 0.74 FFAR1 (0.55) RAB9ANPC1SMN1; SMN2POLBFFAR1
SCHEMBL15173947 0.74 MAOB (0.53) RAB9ANPC1SMN1; SMN2POLBFFAR1

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 RAB9A 1961/4885NPC1 216/4885SMN1; SMN2 3411/4885
US-20130045994-A1 PYRIDINE DERIVATIVE PPARD, PPARG, PPARA RAB9A 1961/4885NPC1 216/4885SMN1; SMN2 3411/4885

“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.