SCHEMBL9984277

SCHEMBL9984277

COc1ccc(Nc2nc(N3CCOCC3)ccc2[N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.56
ALDH1A1 P00352 2/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
POLB P06746 1/20 0.52
KDM4E B2RXH2 1/20 0.50
GAA P10253 1/20 0.50
TDP1 Q9NUW8 2/20 0.48
HPGD P15428 1/20 0.48
SRC P12931 1/20 0.48
MAPK1 P28482 3/20 0.47
TAAR1 Q96RJ0 1/20 0.47
IDO1 P14902 1/20 0.47
ABL1 P00519 1/20 0.46
NTRK1 P04629 1/20 0.46
YES1 P07947 1/20 0.46

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
SCHEMBL9984263 0.88 HTR6 (0.47) MAPTALDH1A1KMT2AMEN1POLB
SCHEMBL9983819 0.88 SMN1; SMN2 (0.53) MAPTALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL9984106 0.87 SRC (0.48) MAPTALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL9984130 0.86 MAPT (0.49) MAPTALDH1A1CYP2C9CYP2C19KMT2A
SCHEMBL27226720 0.86 AURKA (0.49) MAPTALDH1A1NPSR1KMT2AMEN1
SCHEMBL9984827 0.85 IDO1 (0.45) MAPTALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL9983672 0.85 PLK1 (0.48) MAPTALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL9984920 0.85 MAPT (0.49) MAPTALDH1A1CYP2C9CYP2C19NPSR1
SCHEMBL15653173 0.83 MAPT (0.46) MAPTALDH1A1CYP2C9CYP2C19NPSR1
SCHEMBL9984270 0.82 MAPT (0.53) MAPTALDH1A1CYP3A4CYP2C9CYP2C19

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 4055/4885ALDH1A1 2401/4885CYP3A4 1344/4885

“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.