SCHEMBL5480263

SCHEMBL5480263

COC(=O)c1ccccc1CSc1nc2cccnc2n1Cc1cccc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.56
TP53 P04637 7/20 0.49
THRB P10828 4/20 0.49
LMNA P02545 3/20 0.49
MAPT P10636 2/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
HPGD P15428 1/20 0.48
RXFP1 Q9HBX9 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
SLC12A2 P55011 1/20 0.46
SLC12A5 Q9H2X9 1/20 0.46

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
SCHEMBL5483053 0.81 PTGDR2 (0.56) PTGDR2TP53THRBLMNAMAPT
SCHEMBL5471805 0.81 PTGDR2 (0.58) PTGDR2TP53THRBMAPTKMT2A
SCHEMBL5479106 0.75 PTGDR2 (0.68) PTGDR2THRBMAPTKMT2AHPGD
SCHEMBL5476953 0.75 KDM4E (0.83) PTGDR2MAPTHPGDKDM4EALDH1A1
SCHEMBL5480255 0.72 PTGDR2 (0.70) PTGDR2THRBMAPTKDM4EALDH1A1
SCHEMBL4036640 0.72 ALDH1A1 (0.55) PTGDR2TP53LMNAMAPTKMT2A
SCHEMBL5479153 0.72 PTGDR2 (1.00) PTGDR2HPGDKDM4EALDH1A1
SCHEMBL5479109 0.70 PTGDR2 (0.64) PTGDR2THRBMAPTKMT2AHPGD
SCHEMBL5487635 0.69 HTT (0.45) TP53LMNAMAPTKMT2AMEN1
SCHEMBL5472266 0.69 PTGDR2 (0.80) PTGDR2TP53LMNAMAPTHPGD

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 2748/4885TP53 2364/4885THRB 2154/4885
US-20060040976-A1 Thiobenzimidazole derivatives CMA1, SERPINB1, TMPRSS15 PTGDR2 2748/4885TP53 2364/4885THRB 2154/4885
US-20050267148-A1 Benzimidazole derivative CMA1, SERPINB1, TPSAB1 PTGDR2 3468/4885TP53 2334/4885THRB 3247/4885

“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.