SCHEMBL7520113

SCHEMBL7520113

Cc1ccccc1C(=S)c1ccc(Nc2cncc(Br)c2)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.49
MAPK13 O15264 9/20 0.49
MAPK12 P53778 9/20 0.49
MAPK11 Q15759 9/20 0.49
XDH P47989 3/20 0.41
SLC22A12 Q96S37 3/20 0.41
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
DHODH Q02127 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL7036201 0.86 MAPK14 (0.68) MAPK14MAPK13MAPK12MAPK11XDH
SCHEMBL1907388 0.86 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL7040238 0.86 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11XDH
SCHEMBL1907237 0.86 MAPK14 (0.59) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL7038995 0.84 MAPK14 (0.47) MAPK14MAPK13MAPK12MAPK11XDH
SCHEMBL7040292 0.84 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL7033588 0.82 MAPK14 (0.57) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL1901734 0.81 MAPK14 (0.71) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL1899616 0.80 MAPK14 (0.61) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL7037778 0.80 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6432962-B2 Benzophenones as inhibitors of IL-1β and TNF-α LEO PHARMACEUTICAL PRODUCTS LTD. A/S (DK) 2002-08-13 US claimed
US-6432962-B2 Benzophenones as inhibitors of IL-1β and TNF-α LEO PHARMACEUTICAL PRODUCTS LTD. A/S (DK) 2002-08-13 US disclosed
US-20020016347-A1 Benzophenones as inhibitors of IL-1beta and TNF-alpha LEO PHARMACEUTICAL PRODUCTS LTD. A/S (DK) 2002-02-07 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-20020016347-A1 Benzophenones as inhibitors of IL-1beta and TNF-alpha IL1B, IL1A, NFKBIA MAPK14 625/4885MAPK13 1908/4885MAPK12 1184/4885

“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.