SCHEMBL9985487

SCHEMBL9985487

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

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.46
NPC1 O15118 2/20 0.46
BRD4 O60885 2/20 0.46
IDO1 P14902 1/20 0.46
GAA P10253 2/20 0.46
HTT P42858 2/20 0.46
MAPT P10636 6/20 0.45
PKM P14618 2/20 0.45
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TYMS P04818 1/20 0.42
HSF1 Q00613 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
ALDH3A1 P30838 1/20 0.40

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
SCHEMBL9988186 0.91 MAPT (0.46) RAB9ANPC1BRD4IDO1GAA
SCHEMBL9985058 0.87 BRD4 (0.48) RAB9ANPC1BRD4IDO1HTT
SCHEMBL9984831 0.87 BRD4 (0.48) RAB9ANPC1BRD4HTTMAPT
SCHEMBL29695592 0.87 RAB9A (0.59) RAB9ANPC1BRD4IDO1GAA
SCHEMBL9984233 0.85 BRD4 (0.62) RAB9ANPC1BRD4IDO1GAA
SCHEMBL9985544 0.84 BRD4 (0.46) RAB9ANPC1BRD4GAAHTT
SCHEMBL9984053 0.83 BRD4 (0.45) RAB9ANPC1BRD4HTTMAPT
SCHEMBL9984430 0.83 HSF1 (0.58) RAB9ANPC1BRD4IDO1GAA
SCHEMBL9988183 0.82 BRD4 (0.49) RAB9ANPC1BRD4IDO1GAA
SCHEMBL9984796 0.81 NPC1 (0.54) RAB9ANPC1BRD4IDO1GAA

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

“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.