SCHEMBL9984237

SCHEMBL9984237

CNc1ccc([N+](=O)[O-])c(Nc2ccc(C#N)cc2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSF1 Q00613 1/20 0.57
MERTK Q12866 1/20 0.47
BRD4 O60885 2/20 0.45
CARM1 Q86X55 1/20 0.44
PRMT1 Q99873 1/20 0.44
ABCG2 Q9UNQ0 3/20 0.43
ABCB1 P08183 1/20 0.43
DHODH Q02127 2/20 0.40
HSD11B1 P28845 1/20 0.40
MAPT P10636 4/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
MCL1 Q07820 1/20 0.39
PTK2B Q14289 1/20 0.39
SYK P43405 1/20 0.39
GSK3B P49841 1/20 0.39

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
SCHEMBL9984832 0.84 HSF1 (0.61) HSF1BRD4MAPTMEN1CYP1A2
SCHEMBL9984908 0.84 HSF1 (0.61) HSF1BRD4MAPTMEN1CYP1A2
SCHEMBL9984053 0.83 BRD4 (0.45) HSF1MERTKBRD4CARM1PRMT1
SCHEMBL719305 0.83 MERTK (0.45) HSF1MERTKBRD4CARM1PRMT1
SCHEMBL11654326 0.82 HSF1 (0.59) HSF1BRD4MAPTMEN1CYP1A2
SCHEMBL717565 0.82 MERTK (0.55) MERTKCARM1PRMT1ABCG2DHODH
SCHEMBL9984352 0.81 HSF1 (0.58) HSF1BRD4ABCG2MAPTMEN1
SCHEMBL9984430 0.81 HSF1 (0.58) HSF1MERTKBRD4MAPTMEN1
SCHEMBL9987080 0.80 BRD4 (0.40) HSF1MERTKBRD4CARM1PRMT1
SCHEMBL9987079 0.80 BRD4 (0.45) HSF1MERTKBRD4CARM1PRMT1

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 HSF1 4685/4885MERTK 2948/4885BRD4 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.