SCHEMBL7039477

SCHEMBL7039477

Cc1ccccc1C(=S)c1ccc(Nc2ncccc2[N+](=O)[O-])cc1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 6/20 0.57
MAPK12 P53778 6/20 0.57
MAPK11 Q15759 6/20 0.57
MAPK14 Q16539 6/20 0.57
MAPT P10636 6/20 0.53
RAB9A P51151 5/20 0.53
NPC1 O15118 4/20 0.53
ALDH1A1 P00352 4/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
NFKB1 P19838 1/20 0.48
MAPK1 P28482 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 2/20 0.42
GRM4 Q14833 1/20 0.41
PPIA P62937 1/20 0.41
KCNH2 Q12809 1/20 0.41

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
SCHEMBL7037530 0.89 MAPK13 (0.72) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL7036930 0.86 MAPK13 (0.55) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL7039286 0.82 RAB9A (0.46) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL7037212 0.82 MAPK14 (0.52) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL25432578 0.81 MAPT (0.58) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL7033514 0.79 MAPK14 (0.51) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL7035922 0.79 MAPK14 (0.53) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL7030731 0.78 MEN1 (0.66) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL7032178 0.77 MAPK14 (0.49) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL7037778 0.75 MAPK14 (0.52) MAPK13MAPK12MAPK11MAPK14MAPT

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 5 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
EP-1289958-A2 BENZOPHENONES AS INHIBITORS OF IL-1$g(b) AND TNF-$g(a) Leo Pharma A/S (DK) 2003-03-12 EP disclosed
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
WO-2001090074-A2 BENZOPHENONES AS INHIBITORS OF IL-1β AND TNF-$g(a) LEO PHARMA A/S (DK) 2001-11-29 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-20020016347-A1 Benzophenones as inhibitors of IL-1beta and TNF-alpha IL1B, IL1A, NFKBIA MAPK13 1908/4885MAPK12 1184/4885MAPK11 2116/4885

“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.