SCHEMBL3146777

SCHEMBL3146777

COC(=O)c1sc(Nc2ccc(Br)cc2[N+](=O)[O-])cc1O[C@H](C)c1ccccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.41
ABCB1 P08183 1/20 0.39
ABCC1 P33527 1/20 0.39
ALDH1A1 P00352 4/20 0.38
PLK1 P53350 5/20 0.36
PLK3 Q9H4B4 3/20 0.36
CDK2 P24941 1/20 0.36
IKBKE Q14164 1/20 0.36
MAPT P10636 3/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
OPRK1 P41145 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL3567288 0.92 PKM (0.39) PKMABCB1ABCC1ALDH1A1PLK1
SCHEMBL3567289 0.92 PKM (0.39) PKMABCB1ABCC1ALDH1A1PLK1
SCHEMBL3148252 0.88 PLK1 (0.38) ABCB1ABCC1ALDH1A1PLK1PLK3
SCHEMBL4778390 0.88 PLK1 (0.38) ABCB1ABCC1ALDH1A1PLK1PLK3
SCHEMBL3250751 0.87 MEN1 (0.40) PKMALDH1A1PLK1PLK3CDK2
SCHEMBL3265422 0.87 MEN1 (0.40) PKMALDH1A1PLK1PLK3CDK2
SCHEMBL3254457 0.86 ALDH1A1 (0.38) ALDH1A1PLK1PLK3CDK2IKBKE
SCHEMBL3155866 0.86 PLK1 (0.40) PLK1PLK3CDK2IKBKEMAPT
SCHEMBL14568171 0.84 PKM (0.40) PKMABCB1ABCC1ALDH1A1MAPT
SCHEMBL4398208 0.82 PLK1 (0.37) PKMALDH1A1PLK1PLK3CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056525-A1 5- AND 6- SUBSTITUTED BENZIMIDAZOLE THIOPHENE COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2010-03-04 US disclosed
US-20100056525-A1 5- AND 6- SUBSTITUTED BENZIMIDAZOLE THIOPHENE COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2010-03-04 US disclosed
US-20100056525-A1 5- AND 6- SUBSTITUTED BENZIMIDAZOLE THIOPHENE COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2010-03-04 US disclosed
EP-1922316-B1 BENZIMIDAZOLE THIOPHENE COMPOUNDS AS PLK MODULATORS GLAXOSMITHKLINE LLC (US) 2010-03-03 EP disclosed
EP-1924572-B1 REGIOSELECTIVE PROCESS FOR PREPARING BENZIMIDAZOLE THIOPHENES SMITHKLINE BEECHAM CORP (US) 2009-12-30 EP disclosed
EP-2079733-A2 5- AND 6-SUBSTITUTED BENZIMIDAZOLE THIOPHENE COMPOUNDS SmithKline Beecham Corporation (US) 2009-07-22 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
US-20080249301-A1 Regioselective Process for Preparing Benzimidazole Thiophenes SMITHKLINE BEECHAM CORPORATION 2008-10-09 US disclosed
US-20080214563-A1 Benzimidazole Thiophene Compounds As Plk Modulators SMITHKLINE BEECHAM CORPORATION 2008-09-04 US disclosed
US-20080214563-A1 Benzimidazole Thiophene Compounds As Plk Modulators SMITHKLINE BEECHAM CORPORATION 2008-09-04 US disclosed
US-20080214563-A1 Benzimidazole Thiophene Compounds As Plk Modulators SMITHKLINE BEECHAM CORPORATION 2008-09-04 US disclosed
WO-2008070354-A2 5- AND 6- SUBSTITUTED BENZIMIDAZOLE THIOPHENE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-06-12 WO disclosed
WO-2008070354-A2 5- AND 6- SUBSTITUTED BENZIMIDAZOLE THIOPHENE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-06-12 WO disclosed
EP-1924572-A1 REGIOSELECTIVE PROCESS FOR PREPARING BENZIMIDAZOLE THIOPHENES SmithKline Beecham Corporation (US) 2008-05-28 EP disclosed
EP-1922316-A1 BENZIMIDAZOLE THIOPHENE COMPOUNDS AS PLK MODULATORS SmithKline Beecham Corporation (US) 2008-05-21 EP disclosed
WO-2007030366-A1 REGIOSELECTIVE PROCESS FOR PREPARING BENZIMIDAZOLE THIOPHENES SMITHKLINE BEECHAM CORPORATION (US) 2007-03-15 WO disclosed
WO-2007030359-A1 BENZIMIDAZOLE THIOPHENE COMPOUNDS AS PLK MODULATORS 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 (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-20100056525-A1 5- AND 6- SUBSTITUTED BENZIMIDAZOLE THIOPHENE COMPOUNDS CYP3A5, CYP2B6, CYP3A4 PKM 609/4885ABCB1 10/4885ABCC1 627/4885
US-20080214563-A1 Benzimidazole Thiophene Compounds As Plk Modulators PLK2, PLK3, PLK4 PKM 63/4885ABCB1 78/4885ABCC1 961/4885
US-20080249301-A1 Regioselective Process for Preparing Benzimidazole Thiophenes CYP3A4, CYP2C19, CYP2B6 PKM 524/4885ABCB1 98/4885ABCC1 2273/4885

“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.