SCHEMBL1907640

SCHEMBL1907640

Cc1cc(Br)ccc1Nc1ccc(C(=S)c2ccccc2C)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.47
MAPK13 O15264 7/20 0.47
MAPK12 P53778 7/20 0.47
MAPK11 Q15759 7/20 0.47
ALDH1A1 P00352 5/20 0.40
LMNA P02545 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
TP53 P04637 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HDAC6 Q9UBN7 1/20 0.36
IDO1 P14902 1/20 0.36
THRB P10828 1/20 0.35

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
SCHEMBL5173305 0.86 MAPK13 (0.61) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL1907313 0.86 MAPK14 (0.61) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL1906649 0.84 MAPK14 (0.46) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL6820656 0.81 MAPK1 (0.46) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL1908054 0.79 MAPK14 (0.61) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL7036435 0.78 MAPK14 (0.41) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL1907071 0.77 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL5173177 0.76 MAPK14 (0.75) MAPK14MAPK13MAPK12MAPK11NPSR1
SCHEMBL6396818 0.76 MAPK14 (0.77) MAPK14MAPK13MAPK12MAPK11TP53
SCHEMBL6817164 0.75 MAPK14 (0.47) MAPK14MAPK13MAPK12MAPK11ALDH1A1

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 MAPK14 1553/4885MAPK13 2221/4885MAPK12 1892/4885

“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.