SCHEMBL2199762

SCHEMBL2199762

COC(=O)c1ccc(C)c(C(=O)c2ccc(Nc3ccc(Br)cc3[N+](=O)[O-])cc2Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 6/20 0.57
MAPK12 P53778 6/20 0.57
MAPK11 Q15759 6/20 0.57
MAPK14 Q16539 6/20 0.57
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
LMNA P02545 4/20 0.47
ALDH1A1 P00352 1/20 0.47
ATM Q13315 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PKM P14618 1/20 0.43
AKR1C3 P42330 2/20 0.43
AKR1C2 P52895 2/20 0.43
AKR1C4 P17516 1/20 0.43
AKR1C1 Q04828 1/20 0.43
MAPT P10636 2/20 0.42
NPC1 O15118 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL2197489 0.91 KMT2A (0.60) MAPK13MAPK12MAPK11MAPK14MEN1
SCHEMBL2199795 0.88 MAPK13 (0.74) MAPK13MAPK12MAPK11MAPK14MEN1
SCHEMBL7210815 0.88 MAPK13 (0.62) MAPK13MAPK12MAPK11MAPK14MEN1
SCHEMBL2200460 0.88 MAPK14 (0.58) MAPK13MAPK12MAPK11MAPK14MEN1
SCHEMBL7195483 0.88 MAPK13 (0.61) MAPK13MAPK12MAPK11MAPK14MEN1
SCHEMBL2197537 0.85 MAPK13 (0.53) MAPK13MAPK12MAPK11MAPK14MEN1
SCHEMBL7196080 0.85 MAPK13 (0.63) MAPK13MAPK12MAPK11MAPK14MEN1
SCHEMBL7198829 0.85 MAPK14 (0.79) MAPK13MAPK12MAPK11MAPK14MEN1
SCHEMBL7198676 0.83 MAPK13 (0.61) MAPK13MAPK12MAPK11MAPK14MEN1
SCHEMBL2197842 0.83 MAPK14 (0.79) MAPK13MAPK12MAPK11MAPK14MEN1

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
EP-1658263-B9 NOVEL AMINOBENZOPHENONE COMPOUNDS LEO PHARMA AS (DK) 2011-11-09 EP disclosed
US-7977387-B2 Aminobenzophenone compounds LEO PHARMA A/S (DK) 2011-07-12 US disclosed
EP-1658263-B1 NOVEL AMINOBENZOPHENONE COMPOUNDS LEO PHARMA AS (DK) 2010-06-02 EP disclosed
US-20060166990-A1 Novel aminobenzophenone compounds LEO PHARMA A/S (DK) 2006-07-27 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-20060166990-A1 Novel aminobenzophenone compounds NFKBIA, UACA, ALDH7A1 MAPK13 1063/4885MAPK12 955/4885MAPK11 612/4885

“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.