SCHEMBL7080434

SCHEMBL7080434

O=[N+]([O-])c1cc(Br)ccc1Nc1ccc(C(=NO)c2sccc2Cl)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPK13 O15264 2/20 0.41
MAPK12 P53778 2/20 0.41
MAPK11 Q15759 2/20 0.41
MAPK14 Q16539 2/20 0.41
PKM P14618 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.36
IDO1 P14902 1/20 0.35
NPC1 O15118 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
MAPT P10636 4/20 0.34
MAPK1 P28482 2/20 0.34

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
SCHEMBL7080433 1.00 MEN1 (0.43) MEN1KMT2AMAPK13MAPK12MAPK11
SCHEMBL7080484 0.87 MAPK13 (0.55) MEN1KMT2AMAPK13MAPK12MAPK11
SCHEMBL7080486 0.87 MAPK13 (0.55) MEN1KMT2AMAPK13MAPK12MAPK11
SCHEMBL7082159 0.87 MAPK13 (0.50) MEN1KMT2AMAPK13MAPK12MAPK11
SCHEMBL7080601 0.86 KMT2A (0.44) MEN1KMT2AMAPK13MAPK12MAPK11
SCHEMBL7081237 0.86 MAPK13 (0.39) MEN1KMT2AMAPK13MAPK12MAPK11
SCHEMBL7081240 0.86 MAPK13 (0.39) MEN1KMT2AMAPK13MAPK12MAPK11
SCHEMBL7081924 0.83 MAPK14 (0.44) MEN1KMT2AMAPK13MAPK12MAPK11
SCHEMBL7079257 0.83 MAPK14 (0.51) MAPK13MAPK12MAPK11MAPK14IDO1
SCHEMBL7081925 0.83 MAPK14 (0.44) MEN1KMT2AMAPK13MAPK12MAPK11

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-20030073832-A1 Novel aminophenyl ketone derivatives LEO PHARMACEUTICAL PRODUCTS LTD. A/S (DK) 2003-04-17 US claimed
US-20030073832-A1 Novel aminophenyl ketone derivatives LEO PHARMACEUTICAL PRODUCTS LTD. A/S (DK) 2003-04-17 US 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 MEN1 4824/4885KMT2A 1701/4885MAPK13 33/4885

“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.