SCHEMBL4398208

SCHEMBL4398208

COC(=O)c1sc(Nc2cc(OCc3ccc(OC)cc3)c(Br)cc2[N+](=O)[O-])cc1O[C@H](C)c1ccccc1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 5/20 0.37
PLK3 Q9H4B4 3/20 0.37
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CDK2 P24941 1/20 0.35
IKBKE Q14164 1/20 0.35
MAPT P10636 5/20 0.35
BMP1 P13497 1/20 0.34
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
CYP19A1 P11511 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
POLB P06746 1/20 0.34
OPRK1 P41145 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL5008916 0.94 ALDH1A1 (0.38) PLK1PLK3ALDH1A1KDM4ECYP1A2
SCHEMBL5008912 0.94 ALDH1A1 (0.38) PLK1PLK3ALDH1A1KDM4ECYP1A2
SCHEMBL5582470 0.90 AKR1B10 (0.39) PLK1PLK3ALDH1A1KDM4ECYP1A2
SCHEMBL2982204 0.90 AKR1B10 (0.39) PLK1PLK3ALDH1A1KDM4ECYP1A2
SCHEMBL4405104 0.88 PLK1 (0.40) PLK1PLK3ALDH1A1KDM4ECYP1A2
SCHEMBL13592863 0.86 BACE1 (0.38) PLK1PLK3ALDH1A1CDK2IKBKE
SCHEMBL2983664 0.84 AKR1C3 (0.43) PLK1PLK3ALDH1A1KDM4ECYP1A2
SCHEMBL2983660 0.84 AKR1C3 (0.43) PLK1PLK3ALDH1A1KDM4ECYP1A2
SCHEMBL4633176 0.83 PLK1 (0.40) PLK1PLK3ALDH1A1KDM4ECYP1A2
SCHEMBL3146777 0.82 PKM (0.41) PLK1PLK3ALDH1A1CYP1A2CYP2C19

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 7 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
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
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 PLK1 1718/4885PLK3 2097/4885ALDH1A1 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.