SCHEMBL1906592

SCHEMBL1906592

COc1ccc(C(=NO)c2ccc(Nc3ccc(Br)cc3C)cc2Cl)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
AKR1C3 P42330 7/20 0.43
AKR1C2 P52895 7/20 0.43
MAPK14 Q16539 4/20 0.43
MAPK13 O15264 3/20 0.43
MAPK12 P53778 3/20 0.43
MAPK11 Q15759 3/20 0.43
MAPT P10636 3/20 0.41
MEN1 O00255 2/20 0.41
LMNA P02545 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TP53 P04637 1/20 0.38
ADRA2A P08913 1/20 0.37
ADRA2C P18825 1/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37

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
SCHEMBL1905203 0.89 MAPT (0.44) GAAAKR1C2MAPK14MAPK13MAPK12
SCHEMBL1908392 0.87 MAPK14 (0.46) AKR1C3AKR1C2MAPK14MAPK13MAPK12
SCHEMBL1907530 0.85 GAA (0.45) GAAAKR1C3AKR1C2MAPK14MAPK13
SCHEMBL1906104 0.85 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL1903141 0.85 MAPK13 (0.60) GAAAKR1C3AKR1C2MAPK14MAPK13
SCHEMBL1906251 0.85 MAPK14 (0.59) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL5173221 0.82 MAPK14 (0.47) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL1905457 0.81 MAPK14 (0.49) GAAMAPK14MAPK13MAPK12MAPK11
SCHEMBL7081925 0.80 MAPK14 (0.44) GAAMAPK14MAPK13MAPK12MAPK11
SCHEMBL7081924 0.80 MAPK14 (0.44) GAAMAPK14MAPK13MAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4684515-B2 2011-05-18 JP claimed
US-6541670-B2 Antiinflammatory agents LEO PHARMACEUTICAL PRODUCTS LTD. A/S (DK) 2003-04-01 US claimed
US-20030013770-A1 Aminobenzophenones as inhibitors of il 1b and tnf LEO PHARMACEUTICAL PRODUCTS LTD. A/S (DK) 2003-01-16 US claimed
EP-1237845-A1 AMINOBENZOPHENONES AS INHIBITORS OF IL-1BETA AND TNF-ALPHA LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB) (DK) 2002-09-11 EP claimed
WO-2001042189-A1 AMINOBENZOPHENONES AS INHIBITORS OF IL-1β AND TNF-$g(a) LEO PHARMA A/S (DK) 2001-06-14 WO claimed
EP-1237845-B1 AMINOBENZOPHENONES AS INHIBITORS OF IL-1BETA AND TNF-ALPHA LEO PHARMA AS (DK) 2007-05-23 EP disclosed
US-6541670-B2 Antiinflammatory agents LEO PHARMACEUTICAL PRODUCTS LTD. A/S (DK) 2003-04-01 US disclosed
US-20030013770-A1 Aminobenzophenones as inhibitors of il 1b and tnf LEO PHARMACEUTICAL PRODUCTS LTD. A/S (DK) 2003-01-16 US disclosed
EP-1237845-A1 AMINOBENZOPHENONES AS INHIBITORS OF IL-1BETA AND TNF-ALPHA LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB) (DK) 2002-09-11 EP disclosed
WO-2001042189-A1 AMINOBENZOPHENONES AS INHIBITORS OF IL-1β AND TNF-$g(a) LEO PHARMA A/S (DK) 2001-06-14 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-20030013770-A1 Aminobenzophenones as inhibitors of il 1b and tnf IL1B, IL1A, IL6 GAA 4178/4885AKR1C3 202/4885AKR1C2 240/4885

“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.