SCHEMBL4502941

SCHEMBL4502941

CC(C)(NC(=O)Cn1nc(-c2ccccc2O)n(Cc2cccc(F)c2)c1=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 3/20 0.42
GRIN2B Q13224 3/20 0.42
CASR P41180 8/20 0.41
AVPR2 P30518 2/20 0.41
AVPR1A P37288 2/20 0.41
LMNA P02545 2/20 0.39
GLA P06280 1/20 0.39
GNRHR P30968 1/20 0.38
KDM4E B2RXH2 1/20 0.38
RECQL P46063 1/20 0.37
TP53 P04637 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
SCHEMBL4500012 0.85 AVPR2 (0.56) GRIN1GRIN2BAVPR2AVPR1ATP53
SCHEMBL12057073 0.84 AVPR2 (0.44) GRIN1GRIN2BAVPR2AVPR1ATP53
SCHEMBL8237612 0.82 KDM4E (0.48) AVPR2AVPR1ALMNAKDM4ERECQL
SCHEMBL8237197 0.82 KDM4E (0.49) AVPR2AVPR1ALMNAKDM4ERECQL
SCHEMBL4503737 0.82 KDM4E (0.46) AVPR2AVPR1ALMNAKDM4ERECQL
SCHEMBL12057058 0.81 USP2 (0.39) AVPR2AVPR1ALMNARECQLTP53
SCHEMBL3982008 0.80 CASR (0.50) CASRLMNAGLAGNRHR
SCHEMBL8227239 0.80 AVPR2 (0.59) AVPR2AVPR1ATP53
SCHEMBL8234508 0.80 CASR (0.48) GRIN1GRIN2BCASRLMNAGLA
SCHEMBL8237189 0.79 KDM4E (0.48) AVPR2AVPR1ALMNAKDM4ERECQL

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 10 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-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-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
US-20090312381-A1 Substituted Arylimidazolone and Triazolone as Inhibitors of Vasopressin Receptors BAYER HEALTHCARE AG (DE) 2009-12-17 US 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 GRIN1 1471/4885GRIN2B 2030/4885CASR 277/4885
US-20130005704-A1 SUBSTITUTED ARYLIMIDAZOLONE AND TRIAZOLONE AS INHIBITORS OF VASOPRESSIN RECEPTORS AVPR2, AVPR1A, AVPR1B GRIN1 1471/4885GRIN2B 2030/4885CASR 277/4885

“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.