SCHEMBL9984337

SCHEMBL9984337

N#Cc1cccc(Nc2nc(NCCCn3ccnc3)ccc2[N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
EGFR P00533 6/20 0.46
POLB P06746 4/20 0.45
KDM4E B2RXH2 2/20 0.45
HPGD P15428 2/20 0.45
CASP1 P29466 2/20 0.45
CASP7 P55210 2/20 0.45
HSD17B10 Q99714 2/20 0.45
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.45
CLK1 P49759 1/20 0.45
NAMPT P43490 1/20 0.42
CYP19A1 P11511 2/20 0.41
SOD1 P00441 1/20 0.41
TBXAS1 P24557 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
GAA P10253 2/20 0.40
GLA P06280 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP11B1 P15538 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
SCHEMBL9984021 0.90 L3MBTL1 (0.46) ALDH1A1EGFRPOLBKDM4EHPGD
SCHEMBL9984729 0.88 EGFR (0.46) ALDH1A1EGFRPOLBKDM4ELMNA
SCHEMBL9984117 0.83 QPCT (0.45) ALDH1A1EGFRPOLBKDM4ELMNA
SCHEMBL9984992 0.82 QPCT (0.46) ALDH1A1EGFRPOLBKDM4ELMNA
SCHEMBL9984878 0.82 ALDH1A1 (0.49) ALDH1A1EGFRPOLBKDM4ELMNA
SCHEMBL9985171 0.81 QPCT (0.48) ALDH1A1EGFRPOLBKDM4ELMNA
SCHEMBL9985111 0.81 EGFR (0.43) ALDH1A1EGFRPOLBKDM4ELMNA
SCHEMBL9985026 0.80 TDP1 (0.45) ALDH1A1EGFRPOLBKDM4ELMNA
SCHEMBL9983281 0.80 QPCT (0.49) ALDH1A1EGFRPOLBKDM4ETSHR
SCHEMBL9985913 0.80 HSF1 (0.61) ALDH1A1EGFRPOLBKDM4ELMNA

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 ALDH1A1 2401/4885EGFR 4627/4885POLB 4384/4885

“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.