SCHEMBL5465396

SCHEMBL5465396

COc1ccc(-c2nc(SCCNC(=O)c3ccc4ccccc4c3)[nH]c2-c2ccc(OC)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
ALDH1A1 P00352 3/20 0.53
MEN1 O00255 2/20 0.53
HPGD P15428 2/20 0.53
KMT2A Q03164 2/20 0.53
PPARG P37231 1/20 0.53
NCOA2 Q15596 1/20 0.53
NCOA1 Q15788 1/20 0.53
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
MAPT P10636 4/20 0.51
TP53 P04637 1/20 0.49
CASP3 P42574 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
KDM4E B2RXH2 1/20 0.48
CYP1A2 P05177 1/20 0.48
GLA P06280 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
SCHEMBL5489959 0.91 ALDH1A1 (0.57) SMN1; SMN2ALDH1A1MEN1HPGDKMT2A
SCHEMBL5482907 0.87 ALDH1A1 (0.61) SMN1; SMN2ALDH1A1MEN1HPGDKMT2A
SCHEMBL5439921 0.87 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1MEN1HPGDKMT2A
SCHEMBL5445220 0.87 ALDH1A1 (0.52) SMN1; SMN2ALDH1A1MEN1HPGDKMT2A
SCHEMBL5446763 0.87 MAPK14 (0.56) SMN1; SMN2ALDH1A1MEN1HPGDKMT2A
SCHEMBL5471479 0.86 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1MEN1HPGDKMT2A
SCHEMBL5621898 0.86 MAPT (0.49) SMN1; SMN2ALDH1A1MEN1HPGDKMT2A
SCHEMBL5444927 0.86 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1MEN1HPGDKMT2A
SCHEMBL5484872 0.85 MAPT (0.65) SMN1; SMN2ALDH1A1MEN1HPGDKMT2A
SCHEMBL5444943 0.85 ALDH1A1 (0.51) SMN1; SMN2ALDH1A1MEN1HPGDKMT2A

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 3 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

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