SCHEMBL1906378

SCHEMBL1906378

CCOc1ccc(C(=S)c2ccc(Nc3ccc(Br)cc3C)cc2Cl)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.51
ALDH1A1 P00352 7/20 0.51
GAA P10253 6/20 0.51
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
HTT P42858 2/20 0.44
MAPK13 O15264 4/20 0.42
MAPK12 P53778 4/20 0.42
MAPK11 Q15759 4/20 0.42
MAPK14 Q16539 4/20 0.42
SLC2A1 P11166 1/20 0.41
THRB P10828 1/20 0.39
LMNA P02545 1/20 0.38
KDM4E B2RXH2 2/20 0.37
RAF1 P04049 1/20 0.36
POLB P06746 1/20 0.36
PPARG P37231 1/20 0.36
TP53 P04637 1/20 0.35
AKR1C2 P52895 1/20 0.35
AKR1C1 Q04828 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
SCHEMBL1907530 0.89 GAA (0.45) MAPTALDH1A1GAAKMT2AMEN1
SCHEMBL1901468 0.88 MAPK13 (0.57) MAPTALDH1A1GAAKMT2AMEN1
SCHEMBL1905203 0.86 MAPT (0.44) MAPTALDH1A1GAAKMT2AMEN1
SCHEMBL6817328 0.84 MAPT (0.44) MAPTALDH1A1GAAKMT2AMEN1
SCHEMBL1908052 0.84 MAPK14 (0.47) MAPTALDH1A1GAAKMT2AMEN1
SCHEMBL1907071 0.82 MAPK14 (0.56) MAPTALDH1A1KMT2AMEN1HTT
SCHEMBL1907313 0.82 MAPK14 (0.61) MAPTALDH1A1KMT2AMEN1HTT
SCHEMBL6395613 0.79 MAPK14 (0.70) MAPTALDH1A1GAAKMT2AMEN1
SCHEMBL7072894 0.78 MAPK14 (0.49) ALDH1A1GAAKMT2AMEN1MAPK13
SCHEMBL1906380 0.78 MAPT (0.38) MAPTALDH1A1GAAKMT2AMEN1

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 MAPT 4507/4885ALDH1A1 159/4885GAA 4178/4885

“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.