SCHEMBL9983281

SCHEMBL9983281

COc1ccc(Nc2nc(NCCCn3ccnc3)ccc2[N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 2/20 0.49
ALDH1A1 P00352 2/20 0.49
MAPT P10636 3/20 0.48
TSHR P16473 1/20 0.48
MAOB P27338 1/20 0.48
GAA P10253 2/20 0.46
EGFR P00533 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ATM Q13315 1/20 0.45
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
POLB P06746 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP19A1 P11511 1/20 0.44
TLR9 Q9NR96 1/20 0.43
TLR7 Q9NYK1 1/20 0.43
HTT P42858 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
SCHEMBL9984878 0.90 ALDH1A1 (0.49) QPCTALDH1A1MAPTMAOBGAA
SCHEMBL9984117 0.89 QPCT (0.45) QPCTALDH1A1MAPTMAOBEGFR
SCHEMBL9984992 0.88 QPCT (0.46) QPCTALDH1A1MAPTMAOBEGFR
SCHEMBL9985171 0.87 QPCT (0.48) QPCTALDH1A1MAPTMAOBEGFR
SCHEMBL9985026 0.87 TDP1 (0.45) QPCTALDH1A1MAPTMAOBGAA
SCHEMBL9985111 0.86 EGFR (0.43) QPCTALDH1A1MAPTMAOBEGFR
SCHEMBL9984033 0.85 CYP19A1 (0.43) QPCTALDH1A1MAOBEGFRKMT2A
SCHEMBL9984021 0.85 L3MBTL1 (0.46) QPCTALDH1A1MAPTTSHRMAOB
SCHEMBL9984729 0.83 EGFR (0.46) QPCTALDH1A1MAPTMAOBEGFR
SCHEMBL9984877 0.82 MAPT (0.44) QPCTALDH1A1MAPTMAOBMEN1

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-20110306606-A1 NOVEL 2,6-SUBSTITUTED-3-NITROPYRIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME DONG WHA PHARM. CO., LTD. (KR) 2011-12-15 US claimed
EP-2394993-A2 NOVEL 2,6-SUBSTITUTED-3-NITROPYRIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME Dong Wha Pharm. Co., Ltd. (KR) 2011-12-14 EP claimed
US-20110306606-A1 NOVEL 2,6-SUBSTITUTED-3-NITROPYRIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME DONG WHA PHARM. CO., LTD. (KR) 2011-12-15 US disclosed
EP-2394993-A2 NOVEL 2,6-SUBSTITUTED-3-NITROPYRIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME Dong Wha Pharm. Co., Ltd. (KR) 2011-12-14 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 (1 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-20110306606-A1 NOVEL 2,6-SUBSTITUTED-3-NITROPYRIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME NOS3, PTMS, NOS2 QPCT 3599/4885ALDH1A1 2401/4885MAPT 4055/4885

“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.