SCHEMBL5489959

SCHEMBL5489959

COc1ccc(C(=O)NCCSc2nc(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3)[nH]2)cc1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
MEN1 O00255 1/20 0.57
HPGD P15428 1/20 0.57
PPARG P37231 1/20 0.57
KMT2A Q03164 1/20 0.57
NCOA2 Q15596 1/20 0.57
NCOA1 Q15788 1/20 0.57
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
NFKB1 P19838 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
TP53 P04637 1/20 0.53
MAPT P10636 2/20 0.51

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
SCHEMBL5482907 0.96 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2MEN1HPGDPPARG
SCHEMBL5445220 0.95 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2MEN1HPGDPPARG
SCHEMBL5446763 0.95 MAPK14 (0.56) ALDH1A1SMN1; SMN2MEN1HPGDPPARG
SCHEMBL5444927 0.94 SMN1; SMN2 (0.52) ALDH1A1SMN1; SMN2MEN1HPGDPPARG
SCHEMBL5444943 0.93 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2MEN1HPGDPPARG
SCHEMBL5443294 0.92 MAPT (0.55) ALDH1A1SMN1; SMN2MEN1HPGDPPARG
SCHEMBL5484616 0.92 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2MEN1HPGDPPARG
SCHEMBL5465396 0.91 SMN1; SMN2 (0.53) ALDH1A1SMN1; SMN2MEN1HPGDPPARG
SCHEMBL5471479 0.90 SMN1; SMN2 (0.59) ALDH1A1SMN1; SMN2MEN1HPGDPPARG
SCHEMBL5621898 0.90 MAPT (0.49) ALDH1A1SMN1; SMN2MEN1HPGDPPARG

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 ALDH1A1 67/4885SMN1; SMN2 4344/4885MEN1 4435/4885

“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.