SCHEMBL8233254

SCHEMBL8233254

COCCn1c(-c2ccc(Cl)cc2)nn(CC(=O)NCCc2c(Cl)cccc2Cl)c1=O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.49
AVPR2 P30518 9/20 0.49
AVPR1A P37288 9/20 0.49
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TP53 P04637 1/20 0.44
ALDH1A1 P00352 1/20 0.43
HSD17B10 Q99714 1/20 0.43
POLB P06746 2/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL8233200 0.90 RXFP1 (0.47) RXFP1AVPR2AVPR1AKDM4EMEN1
SCHEMBL8232903 0.89 AVPR2 (0.49) AVPR2AVPR1AKMT2ALMNAHTT
SCHEMBL8227243 0.89 AVPR2 (0.47) RXFP1AVPR2AVPR1ALMNAHTT
SCHEMBL8235948 0.87 TP53 (0.52) RXFP1AVPR2AVPR1AKDM4EMEN1
SCHEMBL8237634 0.86 AVPR2 (0.47) RXFP1AVPR2AVPR1ALMNAHTT
SCHEMBL8235366 0.85 AVPR2 (0.45) AVPR2AVPR1AALDH1A1LMNAHTT
SCHEMBL8234576 0.84 AVPR2 (0.46) AVPR2AVPR1AKMT2ALMNAHTT
SCHEMBL8235944 0.84 AVPR2 (0.45) AVPR2AVPR1AKMT2ALMNAHTT
SCHEMBL8233569 0.84 AVPR2 (0.46) AVPR2AVPR1AKMT2ALMNAHTT
SCHEMBL8235930 0.83 AVPR2 (0.56) AVPR2AVPR1AKMT2ALMNAHTT

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 RXFP1 67/4885AVPR2 1/4885AVPR1A 2/4885
US-20130005704-A1 SUBSTITUTED ARYLIMIDAZOLONE AND TRIAZOLONE AS INHIBITORS OF VASOPRESSIN RECEPTORS AVPR2, AVPR1A, AVPR1B RXFP1 67/4885AVPR2 1/4885AVPR1A 2/4885

“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.