SCHEMBL5267734

SCHEMBL5267734

Cc1ccc2scc(CO)c2c1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 5/20 0.58
CA2 P00918 1/20 0.55
LMNA P02545 1/20 0.44
TP53 P04637 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
MAPT P10636 3/20 0.41
USP2 O75604 1/20 0.40
THRB P10828 1/20 0.40
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL19627155 0.86 CA2 (0.52) CYP2A6CA2LMNATP53KEAP1
SCHEMBL5178978 0.85 LMNA (0.58) CYP2A6CA2LMNATP53SMN1; SMN2
SCHEMBL10266973 0.83 CA2 (0.60) CYP2A6CA2LMNATP53KEAP1
SCHEMBL14155053 0.82 CA2 (0.49) CYP2A6CA2LMNAKEAP1NFE2L2
SCHEMBL14395870 0.81 CA2 (0.55) CYP2A6CA2LMNATP53KEAP1
SCHEMBL5179133 0.81 CA2 (0.55) CYP2A6CA2LMNATP53SMN1; SMN2
SCHEMBL3276210 0.81 CA2 (0.55) CYP2A6CA2LMNATP53KEAP1
SCHEMBL1520186 0.80 KEAP1 (0.68) CA2TP53SMN1; SMN2RXFP1KEAP1
SCHEMBL19627157 0.79 CA2 (0.52) CYP2A6CA2LMNATP53KEAP1
SCHEMBL9751556 0.79 CA2 (0.56) CYP2A6CA2TP53MAPTUSP2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1249450-B1 BENZIMIDAZOLE DERIVATIVES AS HUMAN CHYMASE INHIBITORS TEIJIN PHARMA LTD (JP) 2007-10-10 EP disclosed
EP-1249450-B1 BENZIMIDAZOLE DERIVATIVES AS HUMAN CHYMASE INHIBITORS TEIJIN PHARMA LTD (JP) 2007-10-10 EP disclosed
US-7176320-B2 Benzimidazole derivative TEIJIN LIMITED (JP) 2007-02-13 US disclosed
US-7176320-B2 Benzimidazole derivative TEIJIN LIMITED (JP) 2007-02-13 US disclosed
US-7176320-B2 Benzimidazole derivative TEIJIN LIMITED (JP) 2007-02-13 US disclosed
US-20050267148-A1 Benzimidazole derivative TEIJIN LIMITED 2005-12-01 US disclosed
US-20040162311-A1 Benzimidazole derivative TEIJIN LIMITED 2004-08-19 US disclosed
US-20040010004-A1 Benzimidazole derivatives TEIJIN LIMITED (JP) 2004-01-15 US disclosed
EP-1249450-A1 BENZIMIDAZOLE DERIVATIVES TEIJIN LIMITED (JP) 2002-10-16 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-20040162311-A1 Benzimidazole derivative CMA1, CBR3, CBR1 CYP2A6 974/4885CA2 45/4885LMNA 1813/4885
US-20040010004-A1 Benzimidazole derivatives CMA1, CBR3, CBR1 CYP2A6 939/4885CA2 48/4885LMNA 1790/4885
US-20050267148-A1 Benzimidazole derivative CMA1, SERPINB1, TPSAB1 CYP2A6 726/4885CA2 125/4885LMNA 3900/4885

“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.