SCHEMBL5454945

SCHEMBL5454945

COc1ccc(-c2nc(SCCNC(=O)Cc3ccccc3)[nH]c2-c2ccc(OC)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
EGFR P00533 1/20 0.49
TP53 P04637 1/20 0.49
MAPT P10636 2/20 0.48
HPGD P15428 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 1/20 0.48
NPC1 O15118 1/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
PPARG P37231 1/20 0.48
KMT2A Q03164 1/20 0.48
NCOA2 Q15596 1/20 0.48
NCOA1 Q15788 1/20 0.48

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
SCHEMBL5444933 0.90 TP53 (0.52) KDM4EEGFRTP53MAPTLMNA
SCHEMBL5485404 0.84 MTNR1A (0.56)
SCHEMBL5435791 0.83 CNR1 (0.52) KDM4EALDH1A1
SCHEMBL5438592 0.83 GFER (0.55) TP53MAPTHPGDSMN1; SMN2NPC1
SCHEMBL5481935 0.83 MAPK14 (0.48) KDM4EMAPTHPGDSMN1; SMN2LMNA
SCHEMBL5489959 0.83 ALDH1A1 (0.57) TP53MAPTHPGDSMN1; SMN2NPC1
SCHEMBL5444960 0.82 PTGS1 (0.48)
SCHEMBL5471479 0.82 SMN1; SMN2 (0.59) KDM4ETP53MAPTHPGDSMN1; SMN2
SCHEMBL5435770 0.82 KMT2A (0.53) KDM4EEGFRMAPTHPGDSMN1; SMN2
SCHEMBL5444696 0.82

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 KDM4E 520/4885EGFR 4430/4885TP53 4334/4885

“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.