SCHEMBL8233138

SCHEMBL8233138

CCn1c(-c2ccc(Cl)cc2)nn(CC(=O)NCc2cccc(OC(F)(F)F)c2)c1=O

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.54
ABCB1 P08183 1/20 0.52
AVPR2 P30518 13/20 0.47
AVPR1A P37288 13/20 0.47
ROCK2 O75116 1/20 0.45
ROCK1 Q13464 1/20 0.45
MAPT P10636 1/20 0.44
ATM Q13315 1/20 0.43
CNR1 P21554 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
SCHEMBL8235529 0.90 TP53 (0.53) TP53ABCB1AVPR2AVPR1AROCK2
SCHEMBL8233139 0.90 TP53 (0.56) TP53ABCB1AVPR2AVPR1AROCK2
SCHEMBL8233415 0.87 AVPR2 (0.60) TP53AVPR2AVPR1AMAPT
SCHEMBL8232521 0.86 ABCB1 (0.48) TP53ABCB1AVPR2AVPR1AROCK2
SCHEMBL8235315 0.85 TP53 (0.51) TP53ABCB1AVPR2AVPR1AROCK2
SCHEMBL8233206 0.82 TP53 (0.60) TP53AVPR2AVPR1AMAPT
SCHEMBL8233149 0.80 USP2 (0.53) TP53AVPR2AVPR1A
SCHEMBL8235559 0.80 AVPR2 (0.62) TP53AVPR2AVPR1AMAPT
SCHEMBL8739623 0.80 AVPR2 (0.55) ABCB1AVPR2AVPR1ACNR1
SCHEMBL4499208 0.79 AVPR2 (0.56) TP53AVPR2AVPR1ACNR1

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 TP53 3885/4885ABCB1 3343/4885AVPR2 1/4885
US-20130005704-A1 SUBSTITUTED ARYLIMIDAZOLONE AND TRIAZOLONE AS INHIBITORS OF VASOPRESSIN RECEPTORS AVPR2, AVPR1A, AVPR1B TP53 3885/4885ABCB1 3343/4885AVPR2 1/4885

“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.