SCHEMBL8235491

SCHEMBL8235491

O=C(Cn1nc(-c2ccc(Cl)cc2)n(C2CC2)c1=O)NC(c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 12/20 0.56
AVPR1A P37288 12/20 0.56
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
GPR139 Q6DWJ6 3/20 0.40
SLC6A9 P48067 1/20 0.39
KDM4E B2RXH2 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL4504833 0.92 AVPR2 (0.54) AVPR2AVPR1ATP53MAPTGPR139
SCHEMBL381899 0.91 AVPR2 (0.54) AVPR2AVPR1ATP53MAPTGPR139
SCHEMBL8233598 0.91 AVPR2 (0.54) AVPR2AVPR1ATP53MAPTGPR139
SCHEMBL12057144 0.90 AVPR2 (0.53) AVPR2AVPR1ATP53MAPTGPR139
SCHEMBL1442485 0.89 AVPR2 (0.48) AVPR2AVPR1ATP53MAPTGPR139
SCHEMBL12057132 0.89 AVPR2 (0.54) AVPR2AVPR1ATP53MAPTGPR139
SCHEMBL8227831 0.88 AVPR2 (0.51) AVPR2AVPR1ATP53MAPTGPR139
SCHEMBL8235594 0.88 AVPR2 (0.52) AVPR2AVPR1A
SCHEMBL8235351 0.88 AVPR2 (0.57) AVPR2AVPR1ATP53MAPT
SCHEMBL8233218 0.87 AVPR2 (0.51) AVPR2AVPR1ATP53MAPTGPR139

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 6 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-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
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 AVPR2 1/4885AVPR1A 2/4885TP53 3885/4885
US-20130005704-A1 SUBSTITUTED ARYLIMIDAZOLONE AND TRIAZOLONE AS INHIBITORS OF VASOPRESSIN RECEPTORS AVPR2, AVPR1A, AVPR1B AVPR2 1/4885AVPR1A 2/4885TP53 3885/4885

“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.