SCHEMBL4563397

SCHEMBL4563397

C[C@@H](Oc1cc(-c2nc3cc(Cl)ccc3[nH]2)sc1C(N)=O)c1cccc(OC[C@@H]2CNCCO2)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 6/20 0.41
PLK1 P53350 9/20 0.38
SLC6A2 P23975 2/20 0.37
HTR2A P28223 2/20 0.37
SLC6A4 P31645 2/20 0.37
HTR2B P41595 2/20 0.37
SLC6A3 Q01959 2/20 0.37
ADRB2 P07550 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA2C P18825 1/20 0.37
EPHA2 P29317 1/20 0.36
HRH1 P35367 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
HTR3A P46098 1/20 0.36

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
SCHEMBL13440276 0.82 PLK1 (0.53) PLK1
SCHEMBL3249008 0.82 PLK1 (0.53) PLK1
SCHEMBL3252806 0.82 PLK1 (0.53) PLK1
SCHEMBL4279896 0.82 PLK1 (0.43) PLK1
SCHEMBL4278526 0.76 ACHE (0.41) PLK1HTR2AHTR1A
SCHEMBL4425199 0.74 PLK1 (0.43) PLK1
SCHEMBL13462888 0.74 PLK1 (0.41) IRAK4PLK1
SCHEMBL4282457 0.73 PARP1 (0.35) PLK1SLC6A4
SCHEMBL4282487 0.69 PDE10A (0.38) PLK1
SCHEMBL3256890 0.69 PLK1 (0.51) PLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090124615-A9 Benzimidazole Thiophene Compounds KUNTZ KEVIN 2009-05-14 US disclosed
US-20080300247-A1 Benzimidazole Thiophene Compounds KUNTZ KEVIN 2008-12-04 US 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 (2 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-20090124615-A9 Benzimidazole Thiophene Compounds ABCB1, CYP3A5, ABCG2 IRAK4 2294/4885PLK1 458/4885SLC6A2 2732/4885
US-20080300247-A1 Benzimidazole Thiophene Compounds ABCB1, CYP3A5, ABCG2 IRAK4 2294/4885PLK1 458/4885SLC6A2 2732/4885

“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.