SCHEMBL4499296

SCHEMBL4499296

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

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 11/20 0.55
AVPR1A P37288 11/20 0.55
MAPT P10636 2/20 0.44
TP53 P04637 2/20 0.44
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.39
RECQL P46063 1/20 0.39
CTSS P25774 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
SCHEMBL8232662 0.92 AVPR2 (0.46) AVPR2AVPR1AMAPTTP53USP2
SCHEMBL463144 0.92 AVPR2 (0.55) AVPR2AVPR1AMAPTTP53USP2
SCHEMBL8233125 0.92 AVPR2 (0.53) AVPR2AVPR1AMAPTTP53LMNA
SCHEMBL8232872 0.91 AVPR2 (0.47) AVPR2AVPR1AMAPTTP53USP2
SCHEMBL719285 0.91 AVPR2 (0.53) AVPR2AVPR1AMAPTTP53USP2
SCHEMBL8236024 0.90 AVPR2 (0.44) AVPR2AVPR1AMAPTTP53USP2
SCHEMBL4513380 0.89 AVPR2 (0.45) AVPR2AVPR1A
SCHEMBL12057056 0.89 AVPR2 (0.44) AVPR2AVPR1AMAPTTP53USP2
SCHEMBL12057057 0.89 AVPR2 (0.44) AVPR2AVPR1AMAPTTP53USP2
SCHEMBL8232523 0.88 AVPR2 (0.43) AVPR2AVPR1AMAPTTP53USP2

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 10 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-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-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
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 2/4885MAPT 4794/4885
US-20130005704-A1 SUBSTITUTED ARYLIMIDAZOLONE AND TRIAZOLONE AS INHIBITORS OF VASOPRESSIN RECEPTORS AVPR2, AVPR1A, AVPR1B AVPR2 1/4885AVPR1A 2/4885MAPT 4794/4885

“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.