SCHEMBL9984735

SCHEMBL9984735

CCC(Nc1ccc([N+](=O)[O-])c(Nc2cccc(N)c2)n1)n1ccnc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 6/20 0.45
HSF1 Q00613 1/20 0.39
EGFR P00533 3/20 0.37
ROCK1 Q13464 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
NTRK1 P04629 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP24A1 Q07973 1/20 0.33
CYP26A1 O43174 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL9984119 0.90 BRD4 (0.44) BRD4HSF1EGFRROCK1NTRK1
SCHEMBL9984339 0.88 BRD4 (0.42) BRD4HSF1EGFRABCG2
SCHEMBL9984879 0.87 BRD4 (0.45) BRD4HSF1RAB9AL3MBTL1MEN1
SCHEMBL9984994 0.85 BRD4 (0.43) BRD4HSF1RAB9AMEN1KMT2A
SCHEMBL9985113 0.83 EGFR (0.43) BRD4HSF1EGFRRAB9ACYP26A1
SCHEMBL9983283 0.83 GAA (0.43) BRD4ABCG2RAB9AL3MBTL1MEN1
SCHEMBL9985029 0.83 BRD4 (0.42) BRD4HSF1ROCK1RAB9AMEN1
SCHEMBL9985176 0.83 CYP17A1 (0.43) BRD4HSF1EGFRROCK1ABCG2
SCHEMBL9984024 0.83 BRD4 (0.41) BRD4HSF1ABCG2RAB9ACYP26A1
SCHEMBL9984853 0.82 HSF1 (0.54) BRD4HSF1NTRK1RAB9AL3MBTL1

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 1137/4885HSF1 4685/4885EGFR 4627/4885

“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.