SCHEMBL8235366

SCHEMBL8235366

CCOC(=O)Cn1c(-c2ccc(Cl)cc2)nn(CC(=O)NCCc2c(Cl)cccc2Cl)c1=O

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 12/20 0.45
AVPR1A P37288 12/20 0.45
TSHR P16473 2/20 0.45
ALDH1A1 P00352 1/20 0.44
MAPK1 P28482 1/20 0.44
LMNA P02545 2/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL8237634 0.86 AVPR2 (0.47) AVPR2AVPR1ALMNAHTTSMN1; SMN2
SCHEMBL8233254 0.85 RXFP1 (0.49) AVPR2AVPR1AALDH1A1LMNAHTT
SCHEMBL8227243 0.85 AVPR2 (0.47) AVPR2AVPR1ALMNAHTTSMN1; SMN2
SCHEMBL8232903 0.85 AVPR2 (0.49) AVPR2AVPR1ALMNAHTTSMN1; SMN2
SCHEMBL8234576 0.84 AVPR2 (0.46) AVPR2AVPR1ALMNAHTTSMN1; SMN2
SCHEMBL8235944 0.84 AVPR2 (0.45) AVPR2AVPR1ALMNAHTTSMN1; SMN2
SCHEMBL8235930 0.83 AVPR2 (0.56) AVPR2AVPR1ALMNAHTTSMN1; SMN2
SCHEMBL8232623 0.83 AVPR2 (0.51) AVPR2AVPR1A
SCHEMBL12057099 0.82 AVPR2 (0.42) AVPR2AVPR1A
SCHEMBL8233569 0.82 AVPR2 (0.46) AVPR2AVPR1ALMNAHTTSMN1; SMN2

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 2/4885TSHR 43/4885
US-20130005704-A1 SUBSTITUTED ARYLIMIDAZOLONE AND TRIAZOLONE AS INHIBITORS OF VASOPRESSIN RECEPTORS AVPR2, AVPR1A, AVPR1B AVPR2 1/4885AVPR1A 2/4885TSHR 43/4885

“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.