SCHEMBL3148252

SCHEMBL3148252

COC(=O)c1sc(Nc2ccc(Br)cc2[N+](=O)[O-])cc1O[C@H](C)c1ccccc1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 13/20 0.38
PLK3 Q9H4B4 6/20 0.38
ABCB1 P08183 1/20 0.38
ABCC1 P33527 1/20 0.38
RAB9A P51151 1/20 0.36
NEK2 P51955 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TP53 P04637 1/20 0.34
RXFP1 Q9HBX9 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
SCHEMBL4778390 1.00 PLK1 (0.38) PLK1PLK3ABCB1ABCC1RAB9A
SCHEMBL3577258 0.93 PLK1 (0.38) PLK1PLK3ABCB1ABCC1RAB9A
SCHEMBL3577255 0.93 PLK1 (0.38) PLK1PLK3ABCB1ABCC1RAB9A
SCHEMBL4408594 0.90 AKR1C3 (0.40) PLK1PLK3RAB9AAKR1C3AKR1C2
SCHEMBL3146777 0.88 PKM (0.41) PLK1PLK3ABCB1ABCC1RAB9A
SCHEMBL3156518 0.87 PLK1 (0.42) PLK1PLK3NEK2CYP3A4CYP2C9
SCHEMBL2990377 0.84 PLK1 (0.37) PLK1PLK3RAB9ACYP3A4CYP2C9
SCHEMBL5141224 0.84 PLK1 (0.37) PLK1PLK3RAB9ACYP3A4CYP2C9
SCHEMBL5002792 0.82 AKR1C3 (0.42) PLK1PLK3RAB9AAKR1C3AKR1C2
SCHEMBL5002794 0.82 AKR1C3 (0.42) PLK1PLK3RAB9AAKR1C3AKR1C2

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 14 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
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
EP-1922316-A1 BENZIMIDAZOLE THIOPHENE COMPOUNDS AS PLK MODULATORS SmithKline Beecham Corporation (US) 2008-05-21 EP 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 PLK1 836/4885PLK3 1941/4885ABCB1 10/4885
US-20080214563-A1 Benzimidazole Thiophene Compounds As Plk Modulators PLK2, PLK3, PLK4 PLK1 27/4885PLK3 2/4885ABCB1 78/4885
US-20080249301-A1 Regioselective Process for Preparing Benzimidazole Thiophenes CYP3A4, CYP2C19, CYP2B6 PLK1 1718/4885PLK3 2097/4885ABCB1 98/4885

“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.