SCHEMBL8232891

SCHEMBL8232891

O=C(Cn1nc(-c2ccc(Cl)s2)n(Cc2ccccc2F)c1=O)NC(c1cccc(C(F)(F)F)c1)C(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 10/20 0.60
AVPR1A P37288 10/20 0.60
KDM4E B2RXH2 1/20 0.43
MAPT P10636 3/20 0.38
GPR139 Q6DWJ6 2/20 0.35
TP53 P04637 1/20 0.35
GNRHR P30968 1/20 0.35
LMNA P02545 1/20 0.35
RECQL P46063 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL8232890 0.92 AVPR2 (0.61) AVPR2AVPR1AKDM4EGPR139
SCHEMBL8235470 0.92 AVPR2 (0.61) AVPR2AVPR1AKDM4EGPR139
SCHEMBL4507202 0.85 AVPR2 (0.58) AVPR2AVPR1AKDM4EMAPTTP53
SCHEMBL8232525 0.81 AVPR2 (0.74) AVPR2AVPR1AKDM4EGPR139TP53
SCHEMBL8234783 0.80 AVPR2 (0.61) AVPR2AVPR1AKDM4EMAPTTP53
SCHEMBL6928428 0.80 AVPR2 (0.58) AVPR2AVPR1AKDM4ETP53RECQL
SCHEMBL8232896 0.79 AVPR2 (0.66) AVPR2AVPR1ATP53LMNA
SCHEMBL4493922 0.79 AVPR2 (0.57) AVPR2AVPR1AKDM4EMAPTTP53
SCHEMBL8234742 0.79 AVPR2 (0.67) AVPR2AVPR1AKDM4ETP53LMNA
SCHEMBL10217983 0.78 AVPR2 (0.60) AVPR2AVPR1AKDM4EMAPTGPR139

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 7 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
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
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 2/4885KDM4E 4481/4885
US-20130005704-A1 SUBSTITUTED ARYLIMIDAZOLONE AND TRIAZOLONE AS INHIBITORS OF VASOPRESSIN RECEPTORS AVPR2, AVPR1A, AVPR1B AVPR2 1/4885AVPR1A 2/4885KDM4E 4481/4885

“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.