SCHEMBL2198558

SCHEMBL2198558

O=C(c1cc(OCCCO)ccc1F)c1ccc(Nc2ccc(F)cc2Cl)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.51
MAPK13 O15264 2/20 0.48
MAPK12 P53778 2/20 0.48
MAPK11 Q15759 2/20 0.48
MAP2K1 Q02750 2/20 0.42
EGFR P00533 2/20 0.41
HTT P42858 1/20 0.41
RECQL P46063 1/20 0.41
HDAC3 O15379 3/20 0.41
HDAC4 P56524 3/20 0.41
HDAC1 Q13547 3/20 0.41
HDAC7 Q8WUI4 3/20 0.41
HDAC2 Q92769 3/20 0.41
HDAC10 Q969S8 3/20 0.41
HDAC11 Q96DB2 3/20 0.41
HDAC8 Q9BY41 3/20 0.41
HDAC6 Q9UBN7 3/20 0.41
HDAC9 Q9UKV0 3/20 0.41
HDAC5 Q9UQL6 3/20 0.41
GRM4 Q14833 2/20 0.40

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
SCHEMBL2199116 0.94 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11MAP2K1
SCHEMBL2199752 0.91 MAPK14 (0.61) MAPK14MAPK13MAPK12MAPK11MAP2K1
SCHEMBL2198500 0.90 MAPK14 (0.45) MAPK14MAPK13MAPK12MAPK11MAP2K1
SCHEMBL2201685 0.86 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11MAP2K1
SCHEMBL2198443 0.81 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11MAP2K1
SCHEMBL2198731 0.80 MAPK14 (0.60) MAPK14MAPK13MAPK12MAPK11MAP2K1
SCHEMBL2199515 0.79 MAPK14 (0.45) MAPK14MAPK13MAPK12MAPK11EGFR
SCHEMBL12164691 0.76 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11
SCHEMBL2199363 0.74 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11
SCHEMBL2202850 0.74 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11MAP2K1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1826310-B Novel aminobenzophenone compounds LEO PHARMA AS 2010-07-21 CN claimed
JP-2006528597-A 2006-12-21 JP claimed
CN-1826310-A Novel aminobenzophenone compounds LEO PHARMA AS (DK) 2006-08-30 CN claimed
US-20060166990-A1 Novel aminobenzophenone compounds LEO PHARMA A/S (DK) 2006-07-27 US claimed
EP-1658263-A1 NOVEL AMINOBENZOPHENONE COMPOUNDS Leo Pharma A/S (DK) 2006-05-24 EP claimed
WO-2005009940-A1 NOVEL AMINOBENZOPHENONE COMPOUNDS LEO PHARMA A/S (DK) 2005-02-03 WO claimed
US-7977387-B2 Aminobenzophenone compounds LEO PHARMA A/S (DK) 2011-07-12 US disclosed
US-7977387-B2 Aminobenzophenone compounds LEO PHARMA A/S (DK) 2011-07-12 US disclosed
US-7977387-B2 Aminobenzophenone compounds LEO PHARMA A/S (DK) 2011-07-12 US disclosed
CN-1826310-B Novel aminobenzophenone compounds LEO PHARMA AS 2010-07-21 CN disclosed
CN-1826310-A Novel aminobenzophenone compounds LEO PHARMA AS (DK) 2006-08-30 CN 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 MAPK14 697/4885MAPK13 1063/4885MAPK12 955/4885

“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.