SCHEMBL4511097

SCHEMBL4511097

O=C(O)CNCC(=O)c1ccc(Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.56
FEN1 P39748 1/20 0.56
GSK3B P49841 2/20 0.53
MAPT P10636 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
ALDH1A1 P00352 3/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
AGTR1 P30556 1/20 0.46
PABPC1 P11940 1/20 0.46
HTT P42858 1/20 0.45
CES2 O00748 2/20 0.45
CES1 P23141 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
HSD11B1 P28845 1/20 0.45

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
SCHEMBL12781699 0.82 HPGD (0.60) ERCC5FEN1GSK3BMAPTL3MBTL1
SCHEMBL2298462 0.81 GSK3B (0.53) ERCC5FEN1GSK3BMAPTL3MBTL1
SCHEMBL8233178 0.80 GSK3B (0.48) ERCC5FEN1GSK3BMAPTL3MBTL1
SCHEMBL4716770 0.79 ERCC5 (0.70) ERCC5FEN1GSK3BMAPTL3MBTL1
SCHEMBL2290144 0.79 MAPT (0.62) ERCC5FEN1GSK3BMAPTL3MBTL1
SCHEMBL14830961 0.78 ERCC5 (0.58) ERCC5FEN1GSK3BMAPTL3MBTL1
SCHEMBL19954156 0.78 GSK3B (0.55) ERCC5FEN1GSK3BMAPTL3MBTL1
SCHEMBL392858 0.78 NR4A2 (0.65) ERCC5FEN1GSK3BMAPTL3MBTL1
SCHEMBL16784458 0.78 GSK3B (0.59) ERCC5FEN1GSK3BMAPTL3MBTL1
SCHEMBL23014514 0.77 GSK3B (0.53) ERCC5FEN1GSK3BMAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130005704-A1 SUBSTITUTED ARYLIMIDAZOLONE AND TRIAZOLONE AS INHIBITORS OF VASOPRESSIN RECEPTORS BAYER PHARMA AKTIENGESELLSHAFT (DE) 2013-01-03 US disclosed
US-8084481-B2 Substituted arylimidazolone and triazolone as inhibitors of vasopressin receptors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-27 US disclosed
US-20090312381-A1 Substituted Arylimidazolone and Triazolone as Inhibitors of Vasopressin Receptors BAYER HEALTHCARE AG (DE) 2009-12-17 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-20090312381-A1 Substituted Arylimidazolone and Triazolone as Inhibitors of Vasopressin Receptors AVPR2, AVPR1A, AVPR1B ERCC5 4165/4885FEN1 4117/4885GSK3B 3724/4885
US-20130005704-A1 SUBSTITUTED ARYLIMIDAZOLONE AND TRIAZOLONE AS INHIBITORS OF VASOPRESSIN RECEPTORS AVPR2, AVPR1A, AVPR1B ERCC5 4165/4885FEN1 4117/4885GSK3B 3724/4885

“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.