SCHEMBL2196897

SCHEMBL2196897

Cc1ccc(C(=O)NCCO)cc1C(=O)c1ccc(Nc2ccc(Br)cc2N)cc1Cl

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.66
MAPK13 O15264 13/20 0.66
MAPK12 P53778 13/20 0.66
MAPK11 Q15759 13/20 0.66
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
RPA1 P27694 1/20 0.38
MAPT P10636 1/20 0.36

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
SCHEMBL2201071 0.92 MAPK13 (0.53) MAPK14MAPK13MAPK12MAPK11HDAC1
SCHEMBL2198645 0.88 MAPK14 (0.66) MAPK14MAPK13MAPK12MAPK11HDAC3
SCHEMBL2197537 0.86 MAPK13 (0.53) MAPK14MAPK13MAPK12MAPK11HPGD
SCHEMBL2200936 0.83 MAPK14 (0.64) MAPK14MAPK13MAPK12MAPK11HDAC3
SCHEMBL6396535 0.83 MAPK14 (0.78) MAPK14MAPK13MAPK12MAPK11HPGD
SCHEMBL2202867 0.83 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11POLB
SCHEMBL2198608 0.83 MAPK14 (0.64) MAPK14MAPK13MAPK12MAPK11POLB
SCHEMBL6401051 0.83 MAPK14 (0.78) MAPK14MAPK13MAPK12MAPK11HPGD
SCHEMBL2200118 0.82 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11
SCHEMBL2196558 0.82 MAPK14 (0.48) MAPK14MAPK13MAPK12MAPK11HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060166990-A1 Novel aminobenzophenone compounds LEO PHARMA A/S (DK) 2006-07-27 US 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
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 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.