SCHEMBL9984233

SCHEMBL9984233

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 6/20 0.62
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
GAA P10253 2/20 0.48
HTT P42858 2/20 0.48
IDO1 P14902 1/20 0.48
KCNH3 Q9ULD8 2/20 0.48
MAPT P10636 5/20 0.47
PKM P14618 1/20 0.47
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPK1 P28482 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TYMS P04818 1/20 0.44
KDM4E B2RXH2 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSF1 Q00613 1/20 0.44

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
SCHEMBL29695592 0.90 RAB9A (0.59) BRD4RAB9ANPC1GAAHTT
SCHEMBL9988183 0.88 BRD4 (0.49) BRD4RAB9ANPC1GAAHTT
SCHEMBL9984298 0.86 BRD4 (0.66) BRD4RAB9ANPC1KCNH3MAPT
SCHEMBL9984816 0.86 BRD4 (0.66) BRD4RAB9ANPC1HTTIDO1
SCHEMBL9984430 0.86 HSF1 (0.58) BRD4RAB9ANPC1GAAHTT
SCHEMBL9985487 0.85 RAB9A (0.46) BRD4RAB9ANPC1GAAHTT
SCHEMBL9983956 0.84 RAB9A (0.50) BRD4RAB9ANPC1GAAHTT
SCHEMBL9984188 0.83 BRD4 (0.62) BRD4RAB9ANPC1GAAHTT
SCHEMBL9988186 0.83 MAPT (0.46) BRD4RAB9ANPC1GAAHTT
SCHEMBL9794374 0.81 GAA (0.53) RAB9ANPC1GAAHTTIDO1

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 BRD4 1137/4885RAB9A 1721/4885NPC1 1775/4885

“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.