SCHEMBL9983283

SCHEMBL9983283

CCC(Nc1ccc([N+](=O)[O-])c(Nc2ccc(OC)cc2)n1)n1ccnc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
HTT P42858 2/20 0.43
KMT2A Q03164 2/20 0.43
BRD4 O60885 3/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 2/20 0.42
CYP26A1 O43174 4/20 0.41
IDO1 P14902 1/20 0.39
CYP19A1 P11511 2/20 0.39
MAPT P10636 3/20 0.39
PKM P14618 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TYMS P04818 1/20 0.37

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
SCHEMBL9984879 0.90 BRD4 (0.45) HTTKMT2ABRD4RAB9ANPC1
SCHEMBL9984119 0.89 BRD4 (0.44) KMT2ABRD4RAB9ANPC1CYP26A1
SCHEMBL9984994 0.89 BRD4 (0.43) GAAKMT2ABRD4RAB9ANPC1
SCHEMBL9985176 0.87 CYP17A1 (0.43) KMT2ABRD4RAB9ANPC1CYP26A1
SCHEMBL9985029 0.87 BRD4 (0.42) GAAHTTKMT2ABRD4RAB9A
SCHEMBL9985113 0.87 EGFR (0.43) BRD4RAB9ANPC1CYP26A1CYP19A1
SCHEMBL9984024 0.86 BRD4 (0.41) BRD4RAB9ANPC1CYP26A1CYP19A1
SCHEMBL9984037 0.85 BRD4 (0.41) KMT2ABRD4RAB9ANPC1CYP26A1
SCHEMBL9984735 0.83 BRD4 (0.45) KMT2ABRD4RAB9ACYP26A1MAPT
SCHEMBL9984881 0.83 CYP17A1 (0.48) GAAKMT2ABRD4MAPTPKM

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 4749/4885KMT2A 1765/4885

“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.