SCHEMBL9984729

SCHEMBL9984729

Nc1cccc(Nc2nc(NCCCn3ccnc3)ccc2[N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.46
POLB P06746 2/20 0.44
SOD1 P00441 2/20 0.43
CYP19A1 P11511 1/20 0.43
ALDH1A1 P00352 6/20 0.42
QPCT Q16769 2/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPK1 P28482 1/20 0.39
HTT P42858 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
SCHEMBL9984117 0.90 QPCT (0.45) EGFRPOLBSOD1CYP19A1ALDH1A1
SCHEMBL9984337 0.88 ALDH1A1 (0.48) EGFRPOLBSOD1CYP19A1ALDH1A1
SCHEMBL9984878 0.85 ALDH1A1 (0.49) EGFRPOLBSOD1CYP19A1ALDH1A1
SCHEMBL9984992 0.85 QPCT (0.46) EGFRPOLBSOD1CYP19A1ALDH1A1
SCHEMBL9985111 0.83 EGFR (0.43) EGFRPOLBSOD1CYP19A1ALDH1A1
SCHEMBL9985171 0.83 QPCT (0.48) EGFRPOLBSOD1CYP19A1ALDH1A1
SCHEMBL9983281 0.83 QPCT (0.49) EGFRPOLBCYP19A1ALDH1A1QPCT
SCHEMBL9984021 0.83 L3MBTL1 (0.46) EGFRPOLBSOD1CYP19A1ALDH1A1
SCHEMBL9985026 0.83 TDP1 (0.45) EGFRPOLBSOD1CYP19A1ALDH1A1
SCHEMBL9985913 0.82 HSF1 (0.61) EGFRPOLBSOD1CYP19A1ALDH1A1

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 EGFR 4627/4885POLB 4384/4885SOD1 3879/4885

“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.