SCHEMBL5443176

SCHEMBL5443176

COc1ccc(-c2nc(SCCNC(=O)c3ccc(Cl)cc3Cl)[nH]c2-c2ccc(OC)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.47
LMNA P02545 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPT P10636 3/20 0.45
POLB P06746 1/20 0.44
THRB P10828 1/20 0.44
RECQL P46063 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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 0.89 HPGD (0.48) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL5445220 0.87 ALDH1A1 (0.52) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL5621898 0.86 MAPT (0.49) SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL5439921 0.85 SMN1; SMN2 (0.52) NPC1LMNARAB9ASMN1; SMN2MAPT
SCHEMBL5471479 0.84 SMN1; SMN2 (0.59) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL5441827 0.84 MEN1 (0.47) SMN1; SMN2MEN1KMT2A
SCHEMBL5489959 0.83 ALDH1A1 (0.57) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL5485404 0.81 MTNR1A (0.56)
SCHEMBL5446677 0.81 MEN1 (0.52) SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL5482907 0.80 ALDH1A1 (0.61) NPC1RAB9ASMN1; SMN2MAPTMEN1

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 NPC1 4419/4885LMNA 4883/4885RAB9A 4682/4885

“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.