SCHEMBL502982

SCHEMBL502982

CC(C)(C)N(Cc1cc(Oc2ccc(Cl)nc2)ccc1[N+](=O)[O-])C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
TTR P02766 1/20 0.35
PPOX P50336 1/20 0.35
MAPT P10636 4/20 0.34
PIN1 Q13526 2/20 0.34
POLB P06746 1/20 0.34
MAOB P27338 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL501648 0.85 KCNQ3 (0.34) MEN1KMT2AALDH1A1
SCHEMBL14674831 0.83 TBXA2R (0.42) MEN1KMT2ATDP1MAPT
SCHEMBL14674130 0.83 ALDH1A1 (0.43) MERTKMEN1KMT2AMAPTMAOB
SCHEMBL14674597 0.82 LMNA (0.41) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL14674353 0.82 AR (0.43)
SCHEMBL14673681 0.81 HTR2A (0.39) MEN1KMT2ATDP1TTRPPOX
SCHEMBL14674339 0.81 AR (0.38) MEN1KMT2ATDP1TTRPPOX
SCHEMBL14674209 0.81 MAPT (0.41) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL14675125 0.81 EPAS1 (0.43) MEN1KMT2ATDP1TTRPPOX
SCHEMBL503056 0.81 MAPT (0.38) MEN1KMT2ATDP1MAPTPOLB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MERTK 3234/4885MEN1 4140/4885KMT2A 3426/4885
US-20130045994-A1 PYRIDINE DERIVATIVE PPARD, PPARG, PPARA MERTK 3234/4885MEN1 4140/4885KMT2A 3426/4885

“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.