SCHEMBL8233178

SCHEMBL8233178

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

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.48
DPP4 P27487 1/20 0.48
ERCC5 P28715 1/20 0.47
FEN1 P39748 1/20 0.47
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
ALDH1A1 P00352 4/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 6/20 0.46
LMNA P02545 4/20 0.44
KCNH2 Q12809 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MAPT P10636 3/20 0.43
POLB P06746 1/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 1/20 0.43
AGTR1 P30556 1/20 0.43

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
SCHEMBL3035828 0.83 LMNA (0.43) MEN1KMT2AALDH1A1LMNANPC1
SCHEMBL9545039 0.82 NPC1 (0.53) GSK3BDPP4ERCC5FEN1MEN1
SCHEMBL1531237 0.82 ERCC5 (0.58) GSK3BERCC5FEN1MEN1KMT2A
SCHEMBL4511097 0.80 ERCC5 (0.56) GSK3BDPP4ERCC5FEN1MEN1
SCHEMBL2298462 0.80 GSK3B (0.53) GSK3BDPP4ERCC5FEN1MEN1
SCHEMBL1221520 0.80 MAPT (0.54) GSK3BERCC5FEN1MEN1KMT2A
SCHEMBL9263357 0.79 KMT2A (0.60) GSK3BERCC5FEN1MEN1KMT2A
SCHEMBL5004061 0.77 ALDH1A1 (0.54) MEN1KMT2AALDH1A1LMNANPC1
SCHEMBL4223717 0.77 MEN1 (0.69) MEN1KMT2AALDH1A1L3MBTL1LMNA
SCHEMBL9588184 0.77 MAPT (0.51) GSK3BERCC5FEN1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101495458-B Substituted arylimidazolone and triazolone as inhibitors of vasopressin receptors BAYER IP GMBH 2014-01-29 CN disclosed
US-20130005704-A1 SUBSTITUTED ARYLIMIDAZOLONE AND TRIAZOLONE AS INHIBITORS OF VASOPRESSIN RECEPTORS BAYER PHARMA AKTIENGESELLSHAFT (DE) 2013-01-03 US disclosed
EP-2027096-B1 SUBSTITUTED ARYLIMIDAZ0L0NE AND TRIAZ0L0NE AS INHIBITORS OF VASOPRESSIN RECEPTORS Bayer Pharma AG (DE) 2012-05-23 EP disclosed
US-8084481-B2 Substituted arylimidazolone and triazolone as inhibitors of vasopressin receptors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-27 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
US-20090312381-A1 Substituted Arylimidazolone and Triazolone as Inhibitors of Vasopressin Receptors BAYER HEALTHCARE AG (DE) 2009-12-17 US disclosed
CN-101495458-A Substituted arylimidazolone and triazolone as inhibitors of vasopressin receptors BAYER HEALTHCARE AG (DE) 2009-07-29 CN disclosed
WO-2007134862-A1 SUBSTITUTED ARYLIMIDAZ0L0NE AND TRIAZ0L0NE AS INHIBITORS OF VASOPRESSIN RECEPTORS BAYER HEALTHCARE AG (DE) 2007-11-29 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 (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 GSK3B 3724/4885DPP4 324/4885ERCC5 4165/4885
US-20130005704-A1 SUBSTITUTED ARYLIMIDAZOLONE AND TRIAZOLONE AS INHIBITORS OF VASOPRESSIN RECEPTORS AVPR2, AVPR1A, AVPR1B GSK3B 3724/4885DPP4 324/4885ERCC5 4165/4885

“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.