SCHEMBL7076539

SCHEMBL7076539

Cn1ccnc1C(=O)c1ccc(Nc2ccccc2[N+](=O)[O-])cc1Cl

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 7/20 0.64
MAPK12 P53778 7/20 0.64
MAPK11 Q15759 7/20 0.64
MAPK14 Q16539 7/20 0.64
KMT2A Q03164 4/20 0.49
ALDH1A1 P00352 4/20 0.49
MAPT P10636 3/20 0.49
LMNA P02545 3/20 0.49
GAA P10253 2/20 0.49
HTT P42858 2/20 0.49
MEN1 O00255 3/20 0.43
TDP1 Q9NUW8 3/20 0.43
MAPK1 P28482 2/20 0.43
PKM P14618 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ASPH Q12797 1/20 0.43
KDM8 Q8N371 1/20 0.43
XBP1 P17861 1/20 0.42
GRM1 Q13255 1/20 0.42
ALKBH5 Q6P6C2 1/20 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
SCHEMBL7080303 0.89 MAPK13 (0.55) MAPK13MAPK12MAPK11MAPK14KMT2A
SCHEMBL7082270 0.88 MAPK13 (0.53) MAPK13MAPK12MAPK11MAPK14KMT2A
SCHEMBL7082272 0.88 MAPK13 (0.53) MAPK13MAPK12MAPK11MAPK14KMT2A
SCHEMBL7079647 0.86 MAPK14 (0.65) MAPK13MAPK12MAPK11MAPK14KMT2A
SCHEMBL7076440 0.84 MAPK14 (0.61) MAPK13MAPK12MAPK11MAPK14GRM1
SCHEMBL7079376 0.83 MAPK13 (0.67) MAPK13MAPK12MAPK11MAPK14KMT2A
SCHEMBL6657882 0.79 MAPK13 (0.73) MAPK13MAPK12MAPK11MAPK14KMT2A
SCHEMBL6655015 0.78 MAPK14 (1.00) MAPK13MAPK12MAPK11MAPK14KMT2A
SCHEMBL7080468 0.78 KMT2A (0.51) KMT2AALDH1A1MAPTLMNAGAA
SCHEMBL6655495 0.77 MAPK14 (0.82) MAPK13MAPK12MAPK11MAPK14KMT2A

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-20030073832-A1 Novel aminophenyl ketone derivatives LEO PHARMACEUTICAL PRODUCTS LTD. A/S (DK) 2003-04-17 US claimed
WO-2002083622-A2 NOVEL AMINOPHENYL KETONE DERIVATIVES LEO PHARMA A/S (DK) 2002-10-24 WO claimed
US-20030073832-A1 Novel aminophenyl ketone derivatives LEO PHARMACEUTICAL PRODUCTS LTD. A/S (DK) 2003-04-17 US disclosed
WO-2002083622-A2 NOVEL AMINOPHENYL KETONE DERIVATIVES LEO PHARMA A/S (DK) 2002-10-24 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-20030073832-A1 Novel aminophenyl ketone derivatives MAPKAPK2, MAP3K2, MAP3K1 MAPK13 33/4885MAPK12 36/4885MAPK11 41/4885

“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.