SCHEMBL9984006

SCHEMBL9984006

O=[N+]([O-])c1ccc(Cl)nc1Nc1ccc(O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.55
GUCY1B2 O75343 1/20 0.51
GUCY1A2 P33402 1/20 0.51
GUCY1A1 Q02108 1/20 0.51
GUCY1B1 Q02153 1/20 0.51
MEN1 O00255 6/20 0.50
KMT2A Q03164 6/20 0.50
GAA P10253 3/20 0.50
MAPK1 P28482 2/20 0.50
PKM P14618 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
FGFR4 P22455 2/20 0.49
PIN1 Q13526 1/20 0.48
HTT P42858 2/20 0.47
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MCL1 Q07820 1/20 0.43
PTK2B Q14289 1/20 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
SCHEMBL22719050 0.88 MAPT (0.54) MAPTMEN1KMT2AMAPK1FGFR4
SCHEMBL29535826 0.88 MAPT (0.54) MAPTMEN1KMT2AMAPK1FGFR4
SCHEMBL9984336 0.87 MAPT (0.52) MAPTMEN1KMT2AMAPK1TDP1
SCHEMBL718271 0.85 MAPT (0.51) MAPTMEN1KMT2AMAPK1TDP1
SCHEMBL12705359 0.85 FGFR4 (0.52) MAPTMEN1KMT2ATDP1FGFR4
SCHEMBL1600402 0.85 PIN1 (0.65) MAPTMEN1KMT2AMAPK1TDP1
SCHEMBL27227387 0.85 GSK3A (0.59) MAPTMEN1KMT2AMAPK1TDP1
SCHEMBL27227145 0.85 MAPT (0.54) MAPTMEN1KMT2AMAPK1TDP1
SCHEMBL17077895 0.83 MAPT (0.53) MAPTMEN1KMT2AGAAMAPK1
SCHEMBL15653997 0.82 MAPT (0.51) MAPTMEN1KMT2ATDP1FGFR4

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 2 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 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 4055/4885GUCY1B2 779/4885GUCY1A2 785/4885

“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.