SCHEMBL9984707

SCHEMBL9984707

CNc1ccc([N+](=O)[O-])c(Nc2ccc(-n3ccnc3)cc2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSF1 Q00613 1/20 0.52
EGFR P00533 1/20 0.49
BRD4 O60885 2/20 0.41
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.39
CYP3A4 P08684 1/20 0.39
BAZ2B Q9UIF8 1/20 0.39
GRIA1 P42261 1/20 0.38
GRIA2 P42262 1/20 0.38
GRIA3 P42263 1/20 0.38
GRIA4 P48058 1/20 0.38
TNIK Q9UKE5 3/20 0.38
ENPP2 Q13822 1/20 0.37
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
NOTUM Q6P988 1/20 0.37
CYP1A1 P04798 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP1B1 Q16678 1/20 0.36

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
SCHEMBL9984168 0.88 BRD4 (0.56) HSF1EGFRBRD4MAPTLMNA
SCHEMBL9984416 0.85 EGFR (0.45) HSF1EGFRBRD4MAPTLMNA
SCHEMBL9983768 0.84 EGFR (0.50) EGFRMAPTLMNAHTTCYP3A4
SCHEMBL9985560 0.83 EGFR (0.45) HSF1EGFRBRD4MAPTLMNA
SCHEMBL9985113 0.83 EGFR (0.43) HSF1EGFRBRD4MAPTLMNA
SCHEMBL9985111 0.81 EGFR (0.43) EGFRMAPTLMNAHTT
SCHEMBL9985382 0.80 EGFR (0.48) EGFRMAPTLMNAHTTCYP3A4
SCHEMBL9984908 0.79 HSF1 (0.61) HSF1BRD4MAPTLMNACYP3A4
SCHEMBL9984832 0.79 HSF1 (0.61) HSF1BRD4MAPTLMNAHTT
SCHEMBL9985563 0.79 EGFR (0.45) EGFRMAPTLMNAHTTCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102356066-A Novel 2,6-substituted-3-nitropyridine derivative, method for preparing same, and pharmaceutical composition including same DONG WHA PHARM CO LTD 2012-02-15 CN 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 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
CN-102356066-A Novel 2,6-substituted-3-nitropyridine derivative, method for preparing same, and pharmaceutical composition including same DONG WHA PHARM CO LTD 2012-02-15 CN disclosed
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 4685/4885EGFR 4627/4885BRD4 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.