SCHEMBL9985385

SCHEMBL9985385

Nc1cccc(Nc2nc(N3CCOCC3)ccc2[N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.48
ALDH1A1 P00352 7/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
MAPK1 P28482 2/20 0.48
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
SRC P12931 1/20 0.46
GSK3A P49840 2/20 0.44
GSK3B P49841 2/20 0.44
LMNA P02545 2/20 0.44
POLB P06746 1/20 0.44
RAB9A P51151 2/20 0.44
USP2 O75604 1/20 0.44
HPGD P15428 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NPC1 O15118 1/20 0.44
PKM P14618 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 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
SCHEMBL9983989 0.87 L3MBTL1 (0.54) MAPTALDH1A1MAPK1HPGD
SCHEMBL9984304 0.87 MEN1 (0.41) MAPTALDH1A1SMN1; SMN2MAPK1KMT2A
SCHEMBL9984107 0.87 MAPT (0.49) MAPTALDH1A1SMN1; SMN2MAPK1SRC
SCHEMBL9984130 0.86 MAPT (0.49) MAPTALDH1A1SMN1; SMN2MAPK1KMT2A
SCHEMBL9985062 0.86 GSK3A (0.44) MAPTALDH1A1SMN1; SMN2MAPK1KMT2A
SCHEMBL9985084 0.85 RAB9A (0.51) MAPTALDH1A1SMN1; SMN2MAPK1KMT2A
SCHEMBL9984965 0.83 PIK3CD (0.48) MAPTALDH1A1SMN1; SMN2MAPK1KMT2A
SCHEMBL9983819 0.81 SMN1; SMN2 (0.53) MAPTALDH1A1SMN1; SMN2MAPK1KMT2A
SCHEMBL15653173 0.81 MAPT (0.46) MAPTALDH1A1SMN1; SMN2MAPK1KMT2A
SCHEMBL9983596 0.80 MAPT (0.51) MAPTALDH1A1SMN1; SMN2MAPK1KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102356066-A Novel 2,6-substituted-3-nitropyridine derivative, method for preparing same, and pharmaceutical composition including same DONG WHA PHARM CO LTD 2012-02-15 CN 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 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
CN-102356066-A Novel 2,6-substituted-3-nitropyridine derivative, method for preparing same, and pharmaceutical composition including same DONG WHA PHARM CO LTD 2012-02-15 CN disclosed
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 4055/4885ALDH1A1 2401/4885SMN1; SMN2 2176/4885

“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.