SCHEMBL2198908

SCHEMBL2198908

Cc1ccc(C(=O)NCCO)cc1C(=O)c1ccc(Nc2ccccc2[N+](=O)[O-])cc1Cl

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 9/20 0.68
MAPK12 P53778 9/20 0.68
MAPK11 Q15759 9/20 0.68
MAPK14 Q16539 9/20 0.68
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
ALDH1A1 P00352 4/20 0.44
LMNA P02545 4/20 0.44
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
GAA P10253 2/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 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
SCHEMBL2200233 0.91 MAPK13 (0.66) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL2197537 0.89 MAPK13 (0.53) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL2199203 0.86 MAPK13 (0.77) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL2198645 0.85 MAPK14 (0.66) MAPK13MAPK12MAPK11MAPK14
SCHEMBL2196091 0.85 MAPK14 (0.64) MAPK13MAPK12MAPK11MAPK14HTT
SCHEMBL2198593 0.85 MAPK14 (0.67) MAPK13MAPK12MAPK11MAPK14KMT2A
SCHEMBL2199795 0.84 MAPK13 (0.74) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL2198471 0.84 MAPK14 (0.63) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL2200115 0.83 MAPK14 (0.57) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL2196948 0.82 MAPK14 (0.72) MAPK13MAPK12MAPK11MAPK14HTT

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 8 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
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
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

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.