SCHEMBL9984048

SCHEMBL9984048

Nc1cccc(Nc2nc(NCc3ccncc3)ccc2[N+](=O)[O-])c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.45
KMT2A Q03164 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
CYP1A2 P05177 1/20 0.44
MEN1 O00255 2/20 0.42
BLM P54132 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
BRD4 O60885 1/20 0.41
SIRT5 Q9NXA8 1/20 0.41
MAPK1 P28482 2/20 0.40
ROCK1 Q13464 1/20 0.40
HSF1 Q00613 1/20 0.40
RECQL P46063 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PKM P14618 1/20 0.40
ABCG2 Q9UNQ0 2/20 0.39
ABL1 P00519 1/20 0.38
BCR P11274 1/20 0.38
SRC P12931 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
SCHEMBL9984469 0.89 ALDH1A1 (0.47) MAPTKMT2AL3MBTL1CYP1A2MEN1
SCHEMBL9985073 0.87 BRD4 (0.42) MAPTKMT2ACYP1A2MEN1NPSR1
SCHEMBL9984898 0.85 MAPT (0.48) MAPTKMT2AMEN1BRD4SIRT5
SCHEMBL9983890 0.83 MAPT (0.45) MAPTKMT2AL3MBTL1CYP1A2MEN1
SCHEMBL9984076 0.81 CYP1A2 (0.47) MAPTKMT2AL3MBTL1CYP1A2MEN1
SCHEMBL9984721 0.81 BRD4 (0.47) MAPTKMT2AL3MBTL1CYP1A2MEN1
SCHEMBL9984223 0.79 HSF1 (0.60) MAPTKMT2AMEN1TDP1BRD4
SCHEMBL6782441 0.79 HSF1 (0.68) MAPTBRD4ROCK1HSF1
SCHEMBL9986029 0.79 HSF1 (0.57) MAPTL3MBTL1BRD4SIRT5MAPK1
SCHEMBL9984796 0.79 NPC1 (0.54) MAPTKMT2AL3MBTL1MEN1NPSR1

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 MAPT 4055/4885KMT2A 1765/4885L3MBTL1 4883/4885

“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.