SCHEMBL9984796

SCHEMBL9984796

COc1ccc(Nc2nc(NCc3ccncc3)ccc2[N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.54
MAPT P10636 5/20 0.52
GAA P10253 3/20 0.51
HTT P42858 3/20 0.51
RAB9A P51151 3/20 0.49
KMT2A Q03164 2/20 0.49
NPSR1 Q6W5P4 1/20 0.48
ABCG2 Q9UNQ0 1/20 0.46
PKM P14618 2/20 0.45
IDO1 P14902 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
EGFR P00533 1/20 0.41
BRD4 O60885 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NAMPT P43490 1/20 0.41
METAP2 P50579 1/20 0.41

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
SCHEMBL9984076 0.88 CYP1A2 (0.47) NPC1MAPTHTTRAB9AKMT2A
SCHEMBL9985073 0.87 BRD4 (0.42) MAPTKMT2ANPSR1ALDH1A1MEN1
SCHEMBL9983866 0.85 LMNA (0.49) NPC1MAPTGAAHTTRAB9A
SCHEMBL29695592 0.84 RAB9A (0.59) NPC1MAPTGAAHTTRAB9A
SCHEMBL9984742 0.83 ABCG2 (0.51) MAPTABCG2ALDH1A1BRD4NAMPT
SCHEMBL9985487 0.81 RAB9A (0.46) NPC1MAPTGAAHTTRAB9A
SCHEMBL9983890 0.81 MAPT (0.45) MAPTKMT2AABCG2ALDH1A1MEN1
SCHEMBL9984430 0.81 HSF1 (0.58) NPC1MAPTGAAHTTRAB9A
SCHEMBL9985560 0.81 EGFR (0.45) MAPTEGFRBRD4
SCHEMBL9988186 0.80 MAPT (0.46) NPC1MAPTGAAHTTRAB9A

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 NPC1 1775/4885MAPT 4055/4885GAA 2768/4885

“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.