SCHEMBL9984698

SCHEMBL9984698

O=[N+]([O-])c1ccc(N2CCC(O)CC2)nc1Nc1ccc(F)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.41
ALDH1A1 P00352 5/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPK1 P28482 3/20 0.39
POLB P06746 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
PLK1 P53350 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.37
SHMT2 P34897 3/20 0.37
PIK3CD O00329 1/20 0.37
AKT1 P31749 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
SERPINE1 P05121 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL9984012 0.92 MAPT (0.47) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL9984999 0.90 MAPT (0.39) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL9983445 0.88 ALDH1A1 (0.45) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL9984347 0.88 MAPT (0.43) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL9984527 0.88 MAPT (0.43) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL9985202 0.87 MAPT (0.46) MAPTALDH1A1MEN1KMT2ATDP1
SCHEMBL9984266 0.87 CDK4 (0.43) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL9984594 0.87 CDK4 (0.43) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL9984987 0.87 MAPT (0.42) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL9984020 0.87 FLT3 (0.46) MAPTALDH1A1MEN1KMT2ACYP2D6

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 2401/4885MEN1 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.