SCHEMBL4404192

SCHEMBL4404192

COC(=O)c1sc([N+](=O)[O-])cc1OCC[Si](C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.37
L3MBTL1 Q9Y468 5/20 0.37
ALDH1A1 P00352 5/20 0.37
HTT P42858 4/20 0.37
KDM4E B2RXH2 3/20 0.37
KMT2A Q03164 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
POLB P06746 2/20 0.37
GAA P10253 2/20 0.37
MAPK1 P28482 1/20 0.37
ATG4B Q9Y4P1 4/20 0.37
RPS6KB1 P23443 1/20 0.37
CDK2 P24941 1/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
CDK5 Q00535 1/20 0.37
AURKB Q96GD4 1/20 0.37
CASP6 P55212 3/20 0.36
CASP7 P55210 2/20 0.36
LMNA P02545 2/20 0.36

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
SCHEMBL5002982 0.87 ATG4B (0.34) MAPTL3MBTL1ALDH1A1HTTKDM4E
SCHEMBL4406502 0.79 MAPT (0.40) MAPTL3MBTL1ALDH1A1HTTKDM4E
SCHEMBL3249294 0.77 MAPT (0.52) MAPTALDH1A1KMT2ALMNAMEN1
SCHEMBL13545967 0.73 ALDH1A1 (0.45) MAPTALDH1A1HTTKDM4EKMT2A
SCHEMBL2978000 0.72 COMT (0.49) MAPTL3MBTL1ALDH1A1HTTKDM4E
SCHEMBL13545968 0.70 ALDH1A1 (0.40) MAPTL3MBTL1ALDH1A1HTTKDM4E
Hydrochloric Acid SCHEMBL10731665 0.70 MAPT (0.47) MAPTALDH1A1HTTKDM4EKMT2A
SCHEMBL10746173 0.68 ALDH1A1 (0.53) MAPTL3MBTL1ALDH1A1HTTKDM4E
SCHEMBL31078685 0.66 MAPT (0.42) MAPTL3MBTL1ALDH1A1HTTKDM4E
SCHEMBL3264657 0.66 PLK1 (0.45)

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
EP-1924572-B1 REGIOSELECTIVE PROCESS FOR PREPARING BENZIMIDAZOLE THIOPHENES SMITHKLINE BEECHAM CORP (US) 2009-12-30 EP disclosed
US-20080249301-A1 Regioselective Process for Preparing Benzimidazole Thiophenes SMITHKLINE BEECHAM CORPORATION 2008-10-09 US disclosed
US-20080249301-A1 Regioselective Process for Preparing Benzimidazole Thiophenes SMITHKLINE BEECHAM CORPORATION 2008-10-09 US disclosed
EP-1924572-A1 REGIOSELECTIVE PROCESS FOR PREPARING BENZIMIDAZOLE THIOPHENES SmithKline Beecham Corporation (US) 2008-05-28 EP disclosed
WO-2007030366-A1 REGIOSELECTIVE PROCESS FOR PREPARING BENZIMIDAZOLE THIOPHENES SMITHKLINE BEECHAM CORPORATION (US) 2007-03-15 WO 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-20080249301-A1 Regioselective Process for Preparing Benzimidazole Thiophenes CYP3A4, CYP2C19, CYP2B6 MAPT 2606/4885L3MBTL1 4727/4885ALDH1A1 178/4885

“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.