SCHEMBL502859

SCHEMBL502859

CNc1cc(Oc2cc(C)nc(OC)c2)ccc1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.38
PPARG P37231 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RAB9A P51151 2/20 0.35
NR4A1 P22736 1/20 0.35
POLB P06746 1/20 0.34
RAD52 P43351 1/20 0.34
LMNA P02545 2/20 0.34
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34
ALDH1A1 P00352 2/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HTT P42858 1/20 0.33
NPC1 O15118 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GCK P35557 2/20 0.32
NFKBIA P25963 1/20 0.32

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
SCHEMBL502956 0.81 LOX (0.40) PPARGRAB9ANR4A1ALDH1A1HSD17B10
SCHEMBL13211386 0.79 NR4A1 (0.54) RAB9ANR4A1POLBGAATSHR
SCHEMBL502722 0.79 HTT (0.45) L3MBTL1POLBLMNAALDH1A1HTT
SCHEMBL13183226 0.78 MEN1 (0.40) PPARGNR4A1POLBALDH1A1HSD17B10
SCHEMBL12273892 0.75 NR4A1 (0.42) PPARGL3MBTL1NR4A1POLBLMNA
SCHEMBL10005547 0.75 F10 (0.40) L3MBTL1POLBLMNAALDH1A1HSD17B10
SCHEMBL1131363 0.74 ALDH1A1 (0.53) L3MBTL1RAB9ANR4A1LMNAGAA
Hydrochloric Acid SCHEMBL12273007 0.74 NR4A1 (0.41) PPARGL3MBTL1NR4A1POLBLMNA
SCHEMBL9816025 0.73 ALDH1A1 (0.52) RAB9ANR4A1POLBGAATSHR
Hydrochloric Acid SCHEMBL6176873 0.72 ALDH1A1 (0.57) L3MBTL1RAB9ANR4A1LMNAGAA

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-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
WO-2010101164-A1 PYRIDINE DERIVATIVE 第一三共株式会社 (JP) 2010-09-10 WO 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 NQO2 2036/4885PPARG 2/4885L3MBTL1 3292/4885
US-20130045994-A1 PYRIDINE DERIVATIVE PPARD, PPARG, PPARA NQO2 2036/4885PPARG 2/4885L3MBTL1 3292/4885

“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.