SCHEMBL2198442

SCHEMBL2198442

COc1ccc(C(=O)NCCO)cc1C(=O)c1ccc(Nc2ccc(F)cc2)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 3/20 0.46
MAPK12 P53778 3/20 0.46
MAPK11 Q15759 3/20 0.46
MAPK14 Q16539 3/20 0.46
ALDH1A1 P00352 3/20 0.46
SMPD1 P17405 1/20 0.43
POLB P06746 2/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
MAPT P10636 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
GLA P06280 1/20 0.40
PPARG P37231 1/20 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
SCHEMBL6080531 0.92 MAPK13 (0.46) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL2197745 0.92 MAPK13 (0.46) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL2198835 0.91 MAPK13 (0.51) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL2198633 0.90 MAPK14 (0.51) MAPK13MAPK12MAPK11MAPK14
SCHEMBL2199380 0.88 MAPK13 (0.44) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL2199499 0.88 ALDH1A1 (0.53) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL2200691 0.88 MAPK13 (0.46) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL2199744 0.87 MAPK14 (0.50) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL2198174 0.87 MAPK14 (0.43) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL2200130 0.85 MAPK14 (0.52) MAPK13MAPK12MAPK11MAPK14ALDH1A1

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 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.