SCHEMBL502722

SCHEMBL502722

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.45
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.39
AKR1B10 O60218 1/20 0.39
AKR1B1 P15121 1/20 0.39
AKR1C4 P17516 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
AKR1C1 Q04828 1/20 0.39
MAPT P10636 5/20 0.39
KMT2A Q03164 1/20 0.39
MERTK Q12866 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
RELA Q04206 1/20 0.38

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
SCHEMBL502729 0.84 ALDH1A1 (0.40) HTTALDH1A1SMN1; SMN2AKR1B10AKR1B1
SCHEMBL502649 0.83 ALDH1A1 (0.44) HTTALDH1A1SMN1; SMN2AKR1B10AKR1B1
SCHEMBL13211382 0.82 MAPT (0.53) HTTALDH1A1SMN1; SMN2AKR1B10AKR1B1
SCHEMBL502859 0.79 NQO2 (0.38) HTTALDH1A1SMN1; SMN2LMNAL3MBTL1
SCHEMBL487216 0.77 AKR1C3 (0.57) ALDH1A1SMN1; SMN2AKR1B10AKR1B1AKR1C4
SCHEMBL487069 0.77 MAPT (0.44) HTTALDH1A1SMN1; SMN2AKR1B10AKR1B1
SCHEMBL1722494 0.77 ALDH1A1 (0.41) HTTALDH1A1SMN1; SMN2AKR1B10AKR1B1
SCHEMBL487074 0.76 KMT2A (0.45) HTTALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL5341171 0.74 ALDH1A1 (0.50) HTTALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL30167007 0.74 HSPB1 (0.53) HTTALDH1A1SMN1; SMN2AKR1B10AKR1B1

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 HTT 3517/4885ALDH1A1 515/4885SMN1; SMN2 3411/4885
US-20130045994-A1 PYRIDINE DERIVATIVE PPARD, PPARG, PPARA HTT 3517/4885ALDH1A1 515/4885SMN1; 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.