SCHEMBL2198682

SCHEMBL2198682

COC(=O)c1ccc(OC)c(C(=O)c2ccc(Br)cc2Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.46
POLB P06746 3/20 0.46
MEN1 O00255 2/20 0.46
MAPT P10636 8/20 0.46
ALDH1A1 P00352 4/20 0.46
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
HPGD P15428 2/20 0.44
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HDAC8 Q9BY41 2/20 0.43
GLA P06280 2/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
GAA P10253 2/20 0.43
RECQL P46063 1/20 0.43
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 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
SCHEMBL2196860 0.86 MAPK13 (0.46) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL2200649 0.85 MAPK13 (0.47) MAPTALDH1A1RAB9AHPGDGLA
SCHEMBL2196600 0.85 MAPT (0.48) KMT2APOLBMEN1MAPTALDH1A1
SCHEMBL21564740 0.82 MAPT (0.52) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL2198256 0.81 MAPK1 (0.63) KMT2APOLBMEN1MAPTALDH1A1
SCHEMBL2201242 0.80 MAPK13 (0.58) KMT2APOLBMEN1MAPTALDH1A1
SCHEMBL2854950 0.79 ALDH1A1 (0.47) KMT2APOLBMAPTALDH1A1SMN1; SMN2
SCHEMBL2200130 0.79 MAPK14 (0.52) KMT2APOLBMEN1MAPTALDH1A1
SCHEMBL393318 0.77 NR4A2 (0.51) POLBMAPTALDH1A1HPGDGAA
SCHEMBL2198769 0.76 MAPK13 (0.49) KMT2APOLBMEN1MAPTRAB9A

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
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
EP-1658263-A1 NOVEL AMINOBENZOPHENONE COMPOUNDS Leo Pharma A/S (DK) 2006-05-24 EP disclosed
WO-2005009940-A1 NOVEL AMINOBENZOPHENONE COMPOUNDS LEO PHARMA A/S (DK) 2005-02-03 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-20060166990-A1 Novel aminobenzophenone compounds NFKBIA, UACA, ALDH7A1 KMT2A 3430/4885POLB 810/4885MEN1 1114/4885

“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.