SCHEMBL4282457

SCHEMBL4282457

CCN1CCC(Oc2cccc([C@@H](C)Oc3cc(-c4nc5cc(Cl)ccc5[nH]4)sc3C(=O)OC)c2Cl)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.35
PARP2 Q9UGN5 1/20 0.35
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
PLK1 P53350 7/20 0.34
PLK3 Q9H4B4 3/20 0.34
PIK3CD O00329 1/20 0.34
NUAK1 O60285 1/20 0.34
PDGFRB P09619 1/20 0.34
PIM1 P11309 1/20 0.34
KDR P35968 1/20 0.34
NEK2 P51955 1/20 0.34
KDM4E B2RXH2 2/20 0.33
TSHR P16473 2/20 0.33
HSD17B10 Q99714 2/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL4278526 0.83 ACHE (0.41) ALDH1A1PLK1KDM4ETSHRHSD17B10
SCHEMBL13440252 0.81 PLK1 (0.49) PLK1PLK3PIK3CDNUAK1PDGFRB
SCHEMBL3256406 0.81 PLK1 (0.49) PLK1PLK3PIK3CDNUAK1PDGFRB
SCHEMBL4280900 0.77 AMY1A (0.42) ALDH1A1KDM4EHSD17B10MAPTHPGD
SCHEMBL4279896 0.75 PLK1 (0.43) PLK1KDM4ETSHRCYP3A4CYP2C9
SCHEMBL4282487 0.75 PDE10A (0.38) ALDH1A1PLK1KDM4ELMNAMAPT
SCHEMBL13440255 0.75 PLK1 (0.49) PLK1PLK3PIK3CDNUAK1PDGFRB
SCHEMBL3255648 0.75 PLK1 (0.49) PLK1PLK3PIK3CDNUAK1PDGFRB
SCHEMBL3255723 0.74 PLK1 (0.49) PLK1PLK3PIK3CDNUAK1PDGFRB
SCHEMBL13440261 0.74 PLK1 (0.49) PLK1PLK3PIK3CDNUAK1PDGFRB

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 PARP1 2463/4885PARP2 2208/4885ALDH1A1 1060/4885
US-20080300247-A1 Benzimidazole Thiophene Compounds ABCB1, CYP3A5, ABCG2 PARP1 2463/4885PARP2 2208/4885ALDH1A1 1060/4885

“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.