SCHEMBL9984992

SCHEMBL9984992

O=[N+]([O-])c1ccc(NCCCn2ccnc2)nc1Nc1ccc(O)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 2/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
CYP19A1 P11511 1/20 0.46
EGFR P00533 2/20 0.43
ALDH1A1 P00352 6/20 0.42
POLB P06746 2/20 0.42
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SOD1 P00441 2/20 0.42
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
KDM4E B2RXH2 2/20 0.40
LMNA P02545 1/20 0.40
NMT1 P30419 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 0.91 QPCT (0.45) QPCTMAOAMAOBCYP19A1EGFR
SCHEMBL9984878 0.90 ALDH1A1 (0.49) QPCTMAOAMAOBCYP19A1EGFR
SCHEMBL9985111 0.89 EGFR (0.43) QPCTMAOAMAOBCYP19A1EGFR
SCHEMBL9984021 0.88 L3MBTL1 (0.46) QPCTMAOAMAOBCYP19A1EGFR
SCHEMBL9983281 0.88 QPCT (0.49) QPCTMAOBCYP19A1EGFRALDH1A1
SCHEMBL9985026 0.88 TDP1 (0.45) QPCTMAOAMAOBCYP19A1EGFR
SCHEMBL9985171 0.88 QPCT (0.48) QPCTMAOAMAOBCYP19A1EGFR
SCHEMBL9984033 0.86 CYP19A1 (0.43) QPCTMAOAMAOBCYP19A1EGFR
SCHEMBL9984729 0.85 EGFR (0.46) QPCTMAOAMAOBCYP19A1EGFR
SCHEMBL9984877 0.85 MAPT (0.44) QPCTMAOAMAOBCYP19A1ALDH1A1

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 QPCT 3599/4885MAOA 2103/4885MAOB 2174/4885

“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.