SCHEMBL9984469

SCHEMBL9984469

Nc1cccc(Nc2nc(NCc3cccnc3)ccc2[N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
MAPT P10636 7/20 0.46
PKM P14618 2/20 0.46
LMNA P02545 1/20 0.46
BCL6 P41182 1/20 0.46
BCOR Q6W2J9 1/20 0.46
HTR6 P50406 2/20 0.46
GAA P10253 2/20 0.46
HTT P42858 1/20 0.46
FYN P06241 1/20 0.46
CDK5 Q00535 1/20 0.46
CDK5R1 Q15078 1/20 0.46
KMT2A Q03164 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
CYP1A2 P05177 1/20 0.44
MEN1 O00255 1/20 0.43
POLB P06746 2/20 0.43
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
EGFR P00533 2/20 0.43

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
SCHEMBL9984048 0.89 MAPT (0.45) ALDH1A1MAPTPKMKMT2AL3MBTL1
SCHEMBL9985366 0.86 TSHR (0.53) ALDH1A1MAPTPKMLMNABCL6
SCHEMBL6793673 0.82 HSF1 (0.65) ALDH1A1MAPTPKMLMNABCL6
SCHEMBL6783868 0.82 HSF1 (0.55) ALDH1A1MAPTPKMLMNABCL6
SCHEMBL9984038 0.81 PLK1 (0.50) ALDH1A1MAPTPKMLMNABCL6
SCHEMBL9983903 0.79 MAPT (0.42) ALDH1A1MAPTPKMLMNABCL6
SCHEMBL9985382 0.79 EGFR (0.48) ALDH1A1MAPTPKMLMNABCL6
SCHEMBL9984721 0.78 BRD4 (0.47) ALDH1A1MAPTHTTCDK5CDK5R1
SCHEMBL9984342 0.78 NTRK1 (0.65) ALDH1A1MAPTPKMLMNAHTR6
SCHEMBL9984722 0.77 MAPT (0.44) ALDH1A1MAPTPKMLMNABCL6

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 2401/4885MAPT 4055/4885PKM 2312/4885

“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.