SCHEMBL5445221

SCHEMBL5445221

Sc1nc(-c2ccc(Cl)cc2)c(-c2ccccc2)[nH]1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 12/20 0.60
MAPK12 P53778 12/20 0.60
MAPK11 Q15759 12/20 0.60
MAPK14 Q16539 12/20 0.60
RAF1 P04049 4/20 0.60
GCGR P47871 8/20 0.58
KDM4E B2RXH2 4/20 0.51
LMNA P02545 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
GAA P10253 1/20 0.51
HPGD P15428 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.45
MAPK9 P45984 1/20 0.45
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44

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
SCHEMBL5446798 0.93 GCGR (0.56) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL1172425 0.89 KDM4E (0.60) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL5441279 0.81 NOX1 (0.52) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL2127491 0.81 MAPK13 (0.85) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL27233089 0.81 MAPK13 (0.85) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL23437869 0.80 MAPK13 (0.60) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL11382998 0.80 NOX1 (0.71) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL11506066 0.77 SMPD3 (0.50) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL9663564 0.77 MAPK14 (0.54) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL11481381 0.75 NPY5R (0.48) MAPK13MAPK12MAPK11MAPK14RAF1

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-20070185169-A1 2-Mercapto-4,5-Diarylimidazole Derivatives and the use thereof as Cyclooxygenase Inhibitors BEIERSDORF, AG 2007-08-09 US disclosed
US-7223781-B2 2-mercapto-4,5-diarylimidazole derivatives and the use thereof as cyclooxygenase inhibitors BEIERSDORF AG (DE) 2007-05-29 US disclosed
US-20040116695-A1 2-Mercapto-4,5-diarylimidazole derivatives and the use thereof as cyclooxygenase inhibitors BEIERSDORF AG (DE) 2004-06-17 US disclosed
EP-1373217-A1 2-MERCAPTO-4,5-DIARYLIMIDAZOLE DERIVATIVES AND THE USE THEREOF AS CYCLOOXYGENASE INHIBITORS Beiersdorf AG (DE) 2004-01-02 EP disclosed
WO-2002076951-A1 2-MERCAPTO-4,5-DIARYLIMIDAZOLE DERIVATIVES AND THE USE THEREOF AS CYCLOOXYGENASE INHIBITORS BEIERSDORF AG (DE) 2002-10-03 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-20070185169-A1 2-Mercapto-4,5-Diarylimidazole Derivatives and the use thereof as Cyclooxygenase Inhibitors PTGS2, PTGES2, DHFR MAPK13 3380/4885MAPK12 3274/4885MAPK11 3830/4885

“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.