SCHEMBL9984384

SCHEMBL9984384

CC(C)(C)c1ccc(Nc2nc(N3CCC(O)CC3)ccc2[N+](=O)[O-])cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.43
ALDH1A1 P00352 5/20 0.43
MAPK1 P28482 4/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 1/20 0.43
PLK1 P53350 1/20 0.42
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
TRPV1 Q8NER1 3/20 0.41
LMNA P02545 2/20 0.41
PKM P14618 1/20 0.41
TDP1 Q9NUW8 2/20 0.39
POLB P06746 1/20 0.39
BTK Q06187 1/20 0.39
TACR2 P21452 1/20 0.38
HSD11B1 P28845 2/20 0.38
CYP3A4 P08684 1/20 0.37
GAA P10253 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
SCHEMBL9984559 0.90 MAPT (0.41) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL9985002 0.88 PLK1 (0.44) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL9983642 0.87 GSK3A (0.43) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL9984357 0.86 MAPT (0.45) MAPTALDH1A1MAPK1KDM4EPLK1
SCHEMBL9983672 0.85 PLK1 (0.48) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL9984920 0.85 MAPT (0.49) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL9984563 0.85 ALDH1A1 (0.43) MAPTALDH1A1MAPK1KDM4ETRPV1
SCHEMBL9984951 0.83 PLK1 (0.42) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL9984089 0.82 MAPT (0.51) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL9984698 0.81 MAPT (0.41) MAPTALDH1A1MAPK1MEN1KMT2A

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 2401/4885MAPK1 2569/4885

“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.