SCHEMBL9984375

SCHEMBL9984375

O=[N+]([O-])c1ccc(N2CCOCC2)nc1Nc1ccc(N2CCCCC2)c(F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.54
ALDH1A1 P00352 10/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
MAPK1 P28482 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
POLB P06746 1/20 0.46
HTT P42858 3/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 2/20 0.42
SYK P43405 2/20 0.42
USP2 O75604 1/20 0.42
HPGD P15428 1/20 0.42
GAA P10253 2/20 0.42

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
SCHEMBL9985202 0.89 MAPT (0.46) MAPTALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL9984333 0.89 SYK (0.46) MAPTALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL9984279 0.89 ALDH1A1 (0.54) MAPTALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL9985309 0.89 MAPT (0.54) MAPTALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL9984965 0.88 PIK3CD (0.48) MAPTALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL9984893 0.87 ALDH1A1 (0.45) MAPTALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL9983445 0.87 ALDH1A1 (0.45) MAPTALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL9985191 0.86 NPSR1 (0.44) MAPTALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL9983781 0.86 MAPT (0.58) MAPTALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL9984935 0.86 ATR (0.42) MAPTALDH1A1CYP1A2CYP3A4CYP2D6

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 2401/4885CYP1A2 1338/4885

“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.