SCHEMBL9984173

SCHEMBL9984173

CNc1ccc([N+](=O)[O-])c(Nc2ccc(N3CCOCC3)cc2)n1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.56
MAPK1 P28482 5/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
TDP1 Q9NUW8 2/20 0.56
SMN1; SMN2 Q16637 3/20 0.53
HSF1 Q00613 1/20 0.52
ALDH1A1 P00352 6/20 0.48
NPSR1 Q6W5P4 1/20 0.48
PKM P14618 1/20 0.48
LMNA P02545 3/20 0.47
CYP2C9 P11712 1/20 0.46
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.45
SYK P43405 1/20 0.44
STAT6 P42226 1/20 0.44
POLB P06746 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
SCHEMBL9983993 0.89 MAPT (0.54) MAPTMAPK1MEN1KMT2ATDP1
SCHEMBL9984022 0.88 BRD4 (0.56) MAPTMAPK1MEN1KMT2ATDP1
SCHEMBL9983629 0.85 MAPT (0.50) MAPTMAPK1MEN1KMT2ATDP1
SCHEMBL29393674 0.84 MAPT (0.58) MAPTMAPK1MEN1KMT2ATDP1
SCHEMBL9984330 0.84 MAPT (0.58) MAPTMAPK1MEN1KMT2ATDP1
SCHEMBL9987466 0.82 MAPT (0.47) MAPTMAPK1MEN1KMT2ATDP1
SCHEMBL9987468 0.82 MAPT (0.47) MAPTMAPK1MEN1KMT2ATDP1
SCHEMBL9983976 0.81 MAPT (0.57) MAPTMAPK1MEN1KMT2ATDP1
SCHEMBL14332336 0.81 MAPT (0.46) MAPTMAPK1MEN1KMT2ATDP1
SCHEMBL14332335 0.81 MAPT (0.46) MAPTMAPK1MEN1KMT2ATDP1

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 4055/4885MAPK1 2569/4885MEN1 2648/4885

“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.