SCHEMBL9984798

SCHEMBL9984798

COc1ccc(Nc2nc(N(C)c3ccncc3)ccc2[N+](=O)[O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.52
HTT P42858 2/20 0.52
MEN1 O00255 6/20 0.49
KMT2A Q03164 6/20 0.49
ABCG2 Q9UNQ0 3/20 0.46
IDO1 P14902 1/20 0.44
MAPT P10636 6/20 0.43
RAB9A P51151 2/20 0.43
PKM P14618 1/20 0.43
ALDH1A1 P00352 4/20 0.43
TDP1 Q9NUW8 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
MAPK1 P28482 2/20 0.42
NPC1 O15118 2/20 0.42
TYMS P04818 1/20 0.41
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
PTGIR P43119 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL9985076 0.88 KMT2A (0.42) GAAHTTMEN1KMT2AMAPT
SCHEMBL9984078 0.88 IDO1 (0.41) GAAHTTMEN1KMT2AIDO1
SCHEMBL9983869 0.85 CSNK1D (0.38) GAAHTTMEN1KMT2AMAPT
SCHEMBL9984745 0.84 MERTK (0.41) GAAHTTMEN1KMT2AABCG2
SCHEMBL9983887 0.82 MAPT (0.38) HTTMEN1KMT2AABCG2MAPT
SCHEMBL9985563 0.81 EGFR (0.45) HTTMEN1KMT2AMAPTL3MBTL1
SCHEMBL9983980 0.80 MAPT (0.48) HTTMEN1KMT2AMAPTPKM
SCHEMBL9984051 0.80 KMT2A (0.43) MEN1KMT2AABCG2MAPT
SCHEMBL9985553 0.79 RAB9A (0.39) GAAHTTMEN1KMT2AMAPT
SCHEMBL9983803 0.78 IDO1 (0.44) GAAHTTMEN1KMT2AIDO1

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 GAA 2768/4885HTT 4749/4885MEN1 2648/4885

“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.