SCHEMBL7039629

SCHEMBL7039629

Cc1ccncc1Nc1ccc(C(=NO)c2ccc(Cl)cc2C)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.41
PTGS1 P23219 5/20 0.40
PTGS2 P35354 5/20 0.40
MAPK14 Q16539 4/20 0.40
MAPK13 O15264 3/20 0.40
MAPK12 P53778 3/20 0.40
MAPK11 Q15759 3/20 0.40
LMNA P02545 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
XBP1 P17861 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 2/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 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
SCHEMBL7036392 0.89 MAPK14 (0.53) PTGS1PTGS2MAPK14MAPK13MAPK12
SCHEMBL7037065 0.86 DHODH (0.43) PTGS1PTGS2MAPK14MAPK13MAPK12
SCHEMBL7036244 0.85 MAPK14 (0.43) PTGS1PTGS2MAPK14MAPK13MAPK12
SCHEMBL7036427 0.84 MAPK13 (0.58) CYP11B2PTGS1PTGS2MAPK14MAPK13
SCHEMBL7039001 0.84 CYP11B2 (0.43) CYP11B2PTGS1PTGS2MAPK14MAPK13
SCHEMBL7081239 0.82 MAPK14 (0.55) PTGS1PTGS2MAPK14MAPK13MAPK12
SCHEMBL7081236 0.82 MAPK14 (0.55) PTGS1PTGS2MAPK14MAPK13MAPK12
SCHEMBL1908392 0.79 MAPK14 (0.46) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL1907990 0.78 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL7033505 0.78 MAPK14 (0.46) PTGS1PTGS2MAPK14MAPK13MAPK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1289958-A2 BENZOPHENONES AS INHIBITORS OF IL-1$g(b) AND TNF-$g(a) Leo Pharma A/S (DK) 2003-03-12 EP claimed
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-20020016347-A1 Benzophenones as inhibitors of IL-1beta and TNF-alpha LEO PHARMACEUTICAL PRODUCTS LTD. A/S (DK) 2002-02-07 US claimed
WO-2001090074-A2 BENZOPHENONES AS INHIBITORS OF IL-1β AND TNF-$g(a) LEO PHARMA A/S (DK) 2001-11-29 WO claimed
EP-1289958-A2 BENZOPHENONES AS INHIBITORS OF IL-1$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 CYP11B2 223/4885PTGS1 33/4885PTGS2 154/4885

“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.