SCHEMBL9984121

SCHEMBL9984121

CC(C)c1nccn1-c1ccc([N+](=O)[O-])c(Nc2cccc(N)c2)n1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.38
BRD4 O60885 5/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
GSK3B P49841 1/20 0.35
EGFR P00533 3/20 0.35
PIN1 Q13526 1/20 0.35
MAPT P10636 3/20 0.34
NPC1 O15118 2/20 0.34
ALDH1A1 P00352 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KCNH2 Q12809 1/20 0.34
HSF1 Q00613 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SYK P43405 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
SCHEMBL9983774 0.87 KDR (0.42) ROCK1ABCG2GSK3BEGFRPIN1
SCHEMBL9984933 0.87 BRD4 (0.40) BRD4EGFRMAPTNPC1ALDH1A1
SCHEMBL9984395 0.84 IDO1 (0.38) BRD4GSK3BPIN1MAPTNPC1
SCHEMBL9983318 0.81 GAA (0.43) ABCG2MAPTNPC1ALDH1A1RAB9A
SCHEMBL9985110 0.81 TRPV1 (0.39) BRD4GSK3BPIN1MAPTNPC1
SCHEMBL9984373 0.81 CARM1 (0.39) BRD4ABCG2GSK3BPIN1MAPT
SCHEMBL9985481 0.81 HSF1 (0.59) ROCK1BRD4EGFRMAPTHSF1
SCHEMBL9984341 0.79 EGFR (0.45) BRD4EGFRMAPTMEN1KMT2A
SCHEMBL9985030 0.78 MAPT (0.38) BRD4ABCG2EGFRMAPTNPC1
SCHEMBL9984599 0.78 MAPT (0.39) BRD4MAPTALDH1A1SMN1; SMN2L3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ROCK1 1467/4885BRD4 1137/4885ABCG2 3694/4885

“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.