SCHEMBL502729

SCHEMBL502729

CNc1cc(Oc2cc(C)nc(O)c2)ccc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
HTT P42858 4/20 0.40
MAPT P10636 7/20 0.40
KMT2A Q03164 2/20 0.40
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
POLB P06746 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
AKR1B10 O60218 1/20 0.37
AKR1B1 P15121 1/20 0.37
AKR1C4 P17516 1/20 0.37
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
AKR1C1 Q04828 1/20 0.37
HCAR3 P49019 1/20 0.36
CTSB P07858 1/20 0.36
CTSH P09668 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.35

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
SCHEMBL502722 0.84 HTT (0.45) ALDH1A1HTTMAPTKMT2ACYP1A2
SCHEMBL13211382 0.83 MAPT (0.53) ALDH1A1HTTMAPTKMT2ACYP1A2
SCHEMBL487069 0.78 MAPT (0.44) ALDH1A1HTTMAPTKMT2ACYP1A2
SCHEMBL487074 0.77 KMT2A (0.45) ALDH1A1HTTMAPTKMT2ACYP1A2
SCHEMBL12273311 0.76 SMN1; SMN2 (0.42) ALDH1A1HTTMAPTKMT2ACYP1A2
SCHEMBL30167007 0.75 HSPB1 (0.53) ALDH1A1HTTMAPTKMT2ACYP1A2
SCHEMBL5341171 0.75 ALDH1A1 (0.50) ALDH1A1HTTMAPTKMT2ACYP1A2
SCHEMBL25746013 0.74 KDR (0.54)
SCHEMBL487216 0.72 AKR1C3 (0.57) ALDH1A1MAPTKMT2ACYP1A2CYP2C19
SCHEMBL3245417 0.72 MEN1 (0.49) ALDH1A1HTTMAPTKMT2ACYP1A2

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
CN-102341386-A Pyridine derivative DAIICHI SANKYO CO LTD 2012-02-01 CN 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 ALDH1A1 515/4885HTT 3517/4885MAPT 4072/4885
US-20130045994-A1 PYRIDINE DERIVATIVE PPARD, PPARG, PPARA ALDH1A1 515/4885HTT 3517/4885MAPT 4072/4885

“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.