SCHEMBL4516292

SCHEMBL4516292

C[C@@H](Oc1cc(-n2cnc3cc(-c4cnn(C)c4)ccc32)sc1C(N)=O)c1cccc(OCCCO)c1Cl

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 19/20 0.76
CYP3A4 P08684 10/20 0.76
PLK3 Q9H4B4 6/20 0.76
CYP2C9 P11712 7/20 0.64

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
SCHEMBL4505441 0.97 PLK1 (0.78) PLK1CYP3A4PLK3CYP2C9
SCHEMBL14344445 0.94 PLK1 (0.77) PLK1CYP3A4PLK3CYP2C9
Hydrochloric Acid SCHEMBL4504409 0.93 PLK1 (0.76) PLK1CYP3A4PLK3CYP2C9
SCHEMBL4504509 0.93 PLK1 (0.73) PLK1CYP3A4PLK3CYP2C9
SCHEMBL4502142 0.92 PLK1 (0.74) PLK1CYP3A4PLK3CYP2C9
SCHEMBL13440263 0.90 PLK1 (0.75) PLK1CYP3A4PLK3CYP2C9
SCHEMBL3248696 0.90 PLK1 (0.75) PLK1CYP3A4PLK3CYP2C9
SCHEMBL4395208 0.89 PLK1 (0.82) PLK1CYP3A4PLK3CYP2C9
SCHEMBL4397176 0.89 PLK1 (0.82) PLK1CYP3A4PLK3CYP2C9
SCHEMBL3614869 0.88 PLK1 (0.68) PLK1CYP3A4PLK3CYP2C9

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
US-20090326029-A1 NON-CYCLIC SUBSTITUTED BENZIMIDAZOLE THIOPHENE BENZYL ETHER COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-12-31 US claimed
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
US-20090326029-A1 NON-CYCLIC SUBSTITUTED BENZIMIDAZOLE THIOPHENE BENZYL ETHER COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-12-31 US disclosed
WO-2007143506-A2 SUBSTITUTED BENZIMIDAZOLE THIOPHENE BENZYL ETHER COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-12-13 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-20090326029-A1 NON-CYCLIC SUBSTITUTED BENZIMIDAZOLE THIOPHENE BENZYL ETHER COMPOUNDS CYP3A4, CYP2C8, ABCB1 PLK1 391/4885CYP3A4 1/4885PLK3 964/4885

“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.