SCHEMBL5449294

SCHEMBL5449294

COc1ccc(-c2nc(SCCNC(=O)c3ccccc3Cl)[nH]c2-c2ccc(OC)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 1/20 0.48
PPARG P37231 1/20 0.48
NCOA2 Q15596 1/20 0.48
NCOA1 Q15788 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
MAPT P10636 1/20 0.47
ABL1 P00519 1/20 0.45
BCR P11274 1/20 0.45

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
SCHEMBL5441827 0.90 MEN1 (0.47) HPGDSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL5443176 0.89 NPC1 (0.47) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL5446677 0.88 MEN1 (0.52) HPGDSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL5449376 0.86 HPGD (0.53) HPGDSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL5471479 0.86 SMN1; SMN2 (0.59) HPGDSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL5489959 0.85 ALDH1A1 (0.57) HPGDSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL5445220 0.85 ALDH1A1 (0.52) HPGDSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL5621898 0.84 MAPT (0.49) HPGDSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL5439921 0.83 SMN1; SMN2 (0.52) HPGDSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL5465396 0.83 SMN1; SMN2 (0.53) HPGDSMN1; SMN2MEN1KMT2AALDH1A1

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 HPGD 53/4885SMN1; 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.