SCHEMBL6351699

SCHEMBL6351699

Nc1ccc(Nc2ccccc2[N+](=O)[O-])cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 2/20 0.58
MAPK12 P53778 2/20 0.58
MAPK11 Q15759 2/20 0.58
MAPK14 Q16539 2/20 0.58
MAPK1 P28482 4/20 0.58
TDP1 Q9NUW8 4/20 0.58
ALDH1A1 P00352 4/20 0.58
L3MBTL1 Q9Y468 3/20 0.58
CASP7 P55210 1/20 0.58
MAPT P10636 10/20 0.56
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
GAA P10253 1/20 0.56
PKM P14618 1/20 0.56
EPAS1 Q99814 1/20 0.56
LMNA P02545 1/20 0.50
XBP1 P17861 1/20 0.50
HTT P42858 1/20 0.50
GFER P55789 1/20 0.47
LRRK2 Q5S007 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
SCHEMBL4589324 0.83 MAPK13 (0.68) MAPK13MAPK12MAPK11MAPK14MAPK1
SCHEMBL27787878 0.80 EPAS1 (0.53) MAPK13MAPK12MAPK11MAPK14MAPK1
SCHEMBL11517583 0.80 ALDH1A1 (0.58) MAPK13MAPK12MAPK11MAPK14MAPK1
SCHEMBL7390270 0.80 MAPK13 (0.55) MAPK13MAPK12MAPK11MAPK14MAPK1
SCHEMBL16634678 0.80 MAPK13 (0.71) MAPK13MAPK12MAPK11MAPK14MAPK1
SCHEMBL16634680 0.80 MAPK13 (0.71) MAPK13MAPK12MAPK11MAPK14MAPK1
SCHEMBL7544632 0.80 ALDH1A1 (0.60) MAPK13MAPK12MAPK11MAPK14MAPK1
SCHEMBL11517802 0.80 MAPK1 (0.54) MAPK13MAPK12MAPK11MAPK14MAPK1
SCHEMBL11506844 0.79 ALDH1A1 (0.89) MAPK13MAPK12MAPK11MAPK14MAPK1
SCHEMBL10881545 0.79 MEN1 (0.52) MAPK1TDP1ALDH1A1L3MBTL1MAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6960688-B2 Use of compounds for the elevation of pyruvate dehydrogenase activity ASTRAZENECA AB (SE) 2005-11-01 US disclosed
EP-1082110-B1 USE OF COMPOUNDS FOR THE ELEVATION OF PYRUVATE DEHYDROGENASE ACTIVITY ASTRAZENECA AB (SE) 2004-03-24 EP disclosed
US-20040009979-A1 Use of compounds for the elevation of pyruvate dehydrogenase activity ZENECA LIMITED 2004-01-15 US disclosed
US-6498275-B1 Use of compounds for the elevation of pyruvate dehydrogenase activity ASTRAZENECA AB (SE) 2002-12-24 US disclosed
EP-1082110-A1 USE OF COMPOUNDS FOR THE ELEVATION OF PYRUVATE DEHYDROGENASE ACTIVITY AstraZeneca AB (SE) 2001-03-14 EP disclosed
WO-1999062506-A1 USE OF COMPOUNDS FOR THE ELEVATION OF PYRUVATE DEHYDROGENASE ACTIVITY ASTRAZENECA AB (SE) 1999-12-09 WO 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-20040009979-A1 Use of compounds for the elevation of pyruvate dehydrogenase activity PDHA1, PDK1, PDHB MAPK13 3728/4885MAPK12 3710/4885MAPK11 2902/4885

“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.