SCHEMBL5475012

SCHEMBL5475012

COC(=O)c1ccccc1CSc1nc2cc(C)c(C)cc2n1CCOc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 6/20 0.58
LMNA P02545 2/20 0.49
PDPK1 O15530 1/20 0.49
MAPK1 P28482 1/20 0.48
MAPT P10636 1/20 0.48
AR P10275 2/20 0.47
TP53 P04637 1/20 0.45
HCRTR1 O43613 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL5472706 0.88 PTGDR2 (0.60) PTGDR2LMNAMAPTTP53KDM4E
SCHEMBL5483053 0.81 PTGDR2 (0.56) PTGDR2LMNAMAPTTP53KDM4E
SCHEMBL5479153 0.74 PTGDR2 (1.00) PTGDR2KDM4EALDH1A1
SCHEMBL5476953 0.72 KDM4E (0.83) PTGDR2MAPTKDM4EALDH1A1
SCHEMBL5471805 0.71 PTGDR2 (0.58) PTGDR2MAPTTP53KDM4EALDH1A1
SCHEMBL5472266 0.70 PTGDR2 (0.80) PTGDR2LMNAMAPTTP53KDM4E
SCHEMBL5482301 0.70 PTGDR2 (0.47) PTGDR2KDM4EALDH1A1
SCHEMBL5479106 0.69 PTGDR2 (0.68) PTGDR2MAPTKDM4EALDH1A1
SCHEMBL5485409 0.68 RAB9A (0.56) LMNAMAPTALDH1A1NPC1RAB9A
SCHEMBL5480255 0.68 PTGDR2 (0.70) PTGDR2MAPTKDM4EALDH1A1NPC1

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-20070275995-A1 Thiobenzimidazole derivatives TEIJIN PHARMA LIMITED 2007-11-29 US disclosed
US-7268145-B2 Thiobenzimidazole derivatives TEIJIN PHARMA LIMITED (JP) 2007-09-11 US disclosed
US-20060040976-A1 Thiobenzimidazole derivatives TEIJIN LIMITED 2006-02-23 US disclosed
US-20050267148-A1 Benzimidazole derivative TEIJIN LIMITED 2005-12-01 US disclosed
EP-1097926-A1 THIOBENZIMIDAZOLE DERIVATIVES TEIJIN LIMITED (JP) 2001-05-09 EP 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 (3 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-20070275995-A1 Thiobenzimidazole derivatives CMA1, SERPINB1, TMPRSS15 PTGDR2 2748/4885LMNA 4278/4885PDPK1 4271/4885
US-20060040976-A1 Thiobenzimidazole derivatives CMA1, SERPINB1, TMPRSS15 PTGDR2 2748/4885LMNA 4278/4885PDPK1 4271/4885
US-20050267148-A1 Benzimidazole derivative CMA1, SERPINB1, TPSAB1 PTGDR2 3468/4885LMNA 3900/4885PDPK1 3914/4885

“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.