SCHEMBL5449376

SCHEMBL5449376

COc1ccc(-c2nc(SCCNC(=O)c3ccccc3[N+](=O)[O-])[nH]c2-c2ccc(OC)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 1/20 0.47
PPARG P37231 1/20 0.47
NCOA2 Q15596 1/20 0.47
NCOA1 Q15788 1/20 0.47
MAPT P10636 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
SCHEMBL5449294 0.86 HPGD (0.48) HPGDSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL5446677 0.85 MEN1 (0.52) HPGDSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL5443294 0.84 MAPT (0.55) HPGDSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL5489959 0.83 ALDH1A1 (0.57) HPGDSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL5465396 0.81 SMN1; SMN2 (0.53) HPGDSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL5485404 0.81 MTNR1A (0.56)
SCHEMBL5471479 0.80 SMN1; SMN2 (0.59) HPGDSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL5441827 0.80 MEN1 (0.47) HPGDSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL5482907 0.79 ALDH1A1 (0.61) HPGDSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL5443176 0.79 NPC1 (0.47) SMN1; SMN2MEN1KMT2AMAPT

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.