SCHEMBL3249294

SCHEMBL3249294

COC(=O)c1sc([N+](=O)[O-])cc1OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
CYP19A1 P11511 2/20 0.49
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
CTSV O60911 3/20 0.44
CTSL P07711 3/20 0.44
ALDH1A1 P00352 1/20 0.44
HTR1A P08908 1/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
PPIA P62937 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
SCHEMBL13439947 0.89 CYP19A1 (0.52) MAPTCYP19A1KMT2AMEN1SMN1; SMN2
SCHEMBL3617407 0.87 CTSV (0.47) MAPTCYP19A1KMT2AMEN1CTSV
SCHEMBL3255840 0.80 MAPT (0.56) MAPTKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL3691078 0.79 MAPT (0.55) MAPTSMN1; SMN2LMNAHPGDALDH1A1
SCHEMBL13592956 0.78 MAPT (0.54) MAPTSMN1; SMN2LMNAHPGDALDH1A1
SCHEMBL8031386 0.77 MAPT (0.56) MAPTCYP19A1KMT2AMEN1SMN1; SMN2
SCHEMBL4404192 0.77 MAPT (0.37) MAPTKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL31261608 0.77 SGMS2 (0.60) KMT2AMEN1
SCHEMBL3255304 0.77 CTSV (0.44) MAPTCYP19A1KMT2AMEN1SMN1; SMN2
SCHEMBL30662860 0.75 KMT2A (0.54) CYP19A1KMT2AMEN1SMN1; SMN2CTSV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2032563-B1 BENZIMIDAZOL SUBSTITUTED THIOPHENE DERIVATIVES WITH ACTIVITY ON PLK GLAXOSMITHKLINE LLC (US) 2010-06-02 EP disclosed
US-20100075960-A1 BENZIMIDAZOLE THIOPHENE COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2010-03-25 US disclosed
US-20100075960-A1 BENZIMIDAZOLE THIOPHENE COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2010-03-25 US disclosed
US-20090326029-A1 NON-CYCLIC SUBSTITUTED BENZIMIDAZOLE THIOPHENE BENZYL ETHER COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-12-31 US disclosed
US-20090326029-A1 NON-CYCLIC SUBSTITUTED BENZIMIDAZOLE THIOPHENE BENZYL ETHER COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-12-31 US disclosed
EP-1924572-B1 REGIOSELECTIVE PROCESS FOR PREPARING BENZIMIDAZOLE THIOPHENES SMITHKLINE BEECHAM CORP (US) 2009-12-30 EP disclosed
US-7615643-B2 3-[((1R)-1-{2-Chloro-3-[(1-methyl-4-piperidinyl)oxy]phenyl}ethyl)oxy]-5-[5-(1-methyl-1H-pyrazol-4-yl)-1H-benzimidazol-1-yl]-2-thiophenecarboxamide; polo like kinase enzyme inhibitors; anticarcinogenic agents for treating cancer SMITHKLINE BEECHAM CORPORATION (US) 2009-11-10 US disclosed
US-7615643-B2 3-[((1R)-1-{2-Chloro-3-[(1-methyl-4-piperidinyl)oxy]phenyl}ethyl)oxy]-5-[5-(1-methyl-1H-pyrazol-4-yl)-1H-benzimidazol-1-yl]-2-thiophenecarboxamide; polo like kinase enzyme inhibitors; anticarcinogenic agents for treating cancer SMITHKLINE BEECHAM CORPORATION (US) 2009-11-10 US disclosed
US-20090124615-A9 Benzimidazole Thiophene Compounds KUNTZ KEVIN 2009-05-14 US disclosed
US-20090124615-A9 Benzimidazole Thiophene Compounds KUNTZ KEVIN 2009-05-14 US disclosed
EP-2032564-A2 SUBSTITUTED BENZIMIDAZOLE THIOPHENE BENZYL ETHER COMPOUNDS SmithKline Beecham Corporation (US) 2009-03-11 EP disclosed
US-20080300247-A1 Benzimidazole Thiophene Compounds KUNTZ KEVIN 2008-12-04 US disclosed
US-20080300247-A1 Benzimidazole Thiophene Compounds KUNTZ KEVIN 2008-12-04 US 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-2007143506-A2 SUBSTITUTED BENZIMIDAZOLE THIOPHENE BENZYL ETHER COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-12-13 WO disclosed
WO-2007143506-A2 SUBSTITUTED BENZIMIDAZOLE THIOPHENE BENZYL ETHER COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-12-13 WO disclosed
WO-2007030366-A1 REGIOSELECTIVE PROCESS FOR PREPARING BENZIMIDAZOLE THIOPHENES SMITHKLINE BEECHAM CORPORATION (US) 2007-03-15 WO 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 (5 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-20090326029-A1 NON-CYCLIC SUBSTITUTED BENZIMIDAZOLE THIOPHENE BENZYL ETHER COMPOUNDS CYP3A4, CYP2C8, ABCB1 MAPT 2133/4885CYP19A1 855/4885KMT2A 2951/4885
US-20090124615-A9 Benzimidazole Thiophene Compounds ABCB1, CYP3A5, ABCG2 MAPT 1126/4885CYP19A1 1755/4885KMT2A 2733/4885
US-20080300247-A1 Benzimidazole Thiophene Compounds ABCB1, CYP3A5, ABCG2 MAPT 1126/4885CYP19A1 1755/4885KMT2A 2733/4885
US-20100075960-A1 BENZIMIDAZOLE THIOPHENE COMPOUNDS ABCB1, CYP3A5, CYP3A4 MAPT 1151/4885CYP19A1 1722/4885KMT2A 1903/4885
US-20080249301-A1 Regioselective Process for Preparing Benzimidazole Thiophenes CYP3A4, CYP2C19, CYP2B6 MAPT 2606/4885CYP19A1 183/4885KMT2A 2688/4885

“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.