SCHEMBL4278526

SCHEMBL4278526

COC(=O)c1sc(-c2nc3cc(Cl)ccc3[nH]2)cc1O[C@H](C)c1cccc(OCCN2CCOCC2)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.41
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
RUNX1 Q01196 1/20 0.37
TSHR P16473 2/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
PLK1 P53350 1/20 0.36
NPSR1 Q6W5P4 2/20 0.35
DRD3 P35462 1/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
AURKB Q96GD4 1/20 0.35
ELANE P08246 1/20 0.35
EPHX2 P34913 1/20 0.35
MET P08581 1/20 0.35
HTR2A P28223 1/20 0.35

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
SCHEMBL4279896 0.93 PLK1 (0.43) ACHEKDM4ETSHRTP53CYP3A4
SCHEMBL4282457 0.83 PARP1 (0.35) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL13440281 0.81 PLK1 (0.55) CYP3A4PLK1
SCHEMBL3248920 0.81 PLK1 (0.55) CYP3A4PLK1
SCHEMBL4282487 0.80 PDE10A (0.38) ALDH1A1KDM4EHPGDTP53PLK1
SCHEMBL4286273 0.79 PLK1 (0.39) ALDH1A1RUNX1CYP3A4PLK1DRD3
SCHEMBL3259498 0.79 PLK1 (0.38) PLK1
SCHEMBL3259293 0.77 PLK1 (0.55) CYP3A4PLK1
SCHEMBL13440238 0.77 PLK1 (0.55) CYP3A4PLK1
SCHEMBL4563397 0.76 IRAK4 (0.41) PLK1HTR2AHTR1A

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 ACHE 1848/4885ALDH1A1 1060/4885KDM4E 526/4885
US-20080300247-A1 Benzimidazole Thiophene Compounds ABCB1, CYP3A5, ABCG2 ACHE 1848/4885ALDH1A1 1060/4885KDM4E 526/4885

“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.