SCHEMBL9984304

SCHEMBL9984304

Nc1cccc(Nc2nc(N3CCC(N)CC3)ccc2[N+](=O)[O-])c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
PAK4 O96013 1/20 0.41
PAK1 Q13153 1/20 0.41
ALDH1A1 P00352 4/20 0.41
MAPT P10636 4/20 0.41
MAPK1 P28482 3/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 3/20 0.41

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
SCHEMBL9985062 0.90 GSK3A (0.44) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL9983923 0.88 MAPT (0.43) MEN1KMT2AHTR3EHTR3BCYP1A2
SCHEMBL9985385 0.87 MAPT (0.48) MEN1KMT2ACYP1A2ALDH1A1MAPT
SCHEMBL9983989 0.87 L3MBTL1 (0.54) ALDH1A1MAPTMAPK1L3MBTL1EGFR
SCHEMBL9984107 0.87 MAPT (0.49) HTR3EHTR3BCYP1A2HTR3AHTR3D
SCHEMBL9984999 0.85 MAPT (0.39) MEN1KMT2AHTR3EHTR3BCYP1A2
SCHEMBL9983981 0.83 LMNA (0.44) MEN1KMT2AHTR3EHTR3BCYP1A2
SCHEMBL9987452 0.83 ALDH1A1 (0.39) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL9984487 0.81 HSF1 (0.59) POLBROCK1
SCHEMBL9984559 0.81 MAPT (0.41) MEN1KMT2AHTR3EHTR3BCYP1A2

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 MEN1 2648/4885KMT2A 1765/4885HTR3E 3919/4885

“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.