SCHEMBL9984089

SCHEMBL9984089

O=[N+]([O-])c1ccc(N2CCC(O)CC2)nc1Nc1ccc(N2CCOCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.51
MEN1 O00255 2/20 0.51
MAPK1 P28482 2/20 0.51
KMT2A Q03164 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.48
ALDH1A1 P00352 4/20 0.48
PLK1 P53350 1/20 0.47
PKM P14618 1/20 0.46
EML4 Q9HC35 1/20 0.44
ALK Q9UM73 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
STAT6 P42226 1/20 0.43
POLB P06746 1/20 0.42
LRRK2 Q5S007 1/20 0.42
SRC P12931 1/20 0.42

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
SCHEMBL9983596 0.90 MAPT (0.51) MAPTMEN1MAPK1KMT2ATDP1
SCHEMBL9983642 0.86 GSK3A (0.43) MAPTMEN1MAPK1KMT2ATDP1
SCHEMBL9985202 0.86 MAPT (0.46) MAPTMEN1KMT2ATDP1ALDH1A1
SCHEMBL9984270 0.85 MAPT (0.53) MAPTMEN1MAPK1KMT2ATDP1
SCHEMBL9985002 0.85 PLK1 (0.44) MAPTMEN1MAPK1KMT2ATDP1
SCHEMBL9984130 0.84 MAPT (0.49) MAPTMEN1MAPK1KMT2ATDP1
SCHEMBL9984443 0.83 EGFR (0.46) MAPTMAPK1TDP1ALDH1A1PLK1
SCHEMBL9983819 0.83 SMN1; SMN2 (0.53) MAPTMEN1MAPK1KMT2ATDP1
SCHEMBL15653173 0.83 MAPT (0.46) MAPTMEN1MAPK1KMT2ATDP1
SCHEMBL9984951 0.82 PLK1 (0.42) MAPTMEN1MAPK1KMT2ATDP1

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 MAPT 4055/4885MEN1 2648/4885MAPK1 2569/4885

“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.