SCHEMBL4499208

SCHEMBL4499208

COc1ccc(Cn2c(-c3ccc(Cl)cc3)nn(CC(=O)NCc3cccc(C(F)(F)F)c3)c2=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 6/20 0.56
AVPR1A P37288 6/20 0.56
TP53 P04637 3/20 0.54
USP2 O75604 1/20 0.50
POLB P06746 1/20 0.50
CCR1 P32246 2/20 0.49
LMNA P02545 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
NPBWR1 P48145 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
CNR1 P21554 1/20 0.45
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL8233206 0.94 TP53 (0.60) AVPR2AVPR1ATP53USP2POLB
SCHEMBL8235559 0.93 AVPR2 (0.62) AVPR2AVPR1ATP53CCR1LMNA
SCHEMBL8233149 0.90 USP2 (0.53) AVPR2AVPR1ATP53USP2POLB
SCHEMBL8232808 0.90 AVPR2 (0.58) AVPR2AVPR1ATP53POLBCCR1
SCHEMBL8233415 0.88 AVPR2 (0.60) AVPR2AVPR1ATP53POLBCCR1
SCHEMBL4502280 0.88 AVPR2 (0.56) AVPR2AVPR1ATP53CCR1LMNA
SCHEMBL4510322 0.88 AVPR2 (0.58) AVPR2AVPR1ATP53POLBCCR1
SCHEMBL8237253 0.88 AVPR2 (0.59) AVPR2AVPR1ATP53POLBCCR1
SCHEMBL8233209 0.87 AVPR2 (0.56) AVPR2AVPR1ATP53CCR1ALDH1A1
SCHEMBL8233142 0.87 AVPR2 (0.55) AVPR2AVPR1ATP53NPBWR1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101495458-B Substituted arylimidazolone and triazolone as inhibitors of vasopressin receptors BAYER IP GMBH 2014-01-29 CN disclosed
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
CN-101495458-A Substituted arylimidazolone and triazolone as inhibitors of vasopressin receptors BAYER HEALTHCARE AG (DE) 2009-07-29 CN 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 2/4885TP53 3885/4885
US-20130005704-A1 SUBSTITUTED ARYLIMIDAZOLONE AND TRIAZOLONE AS INHIBITORS OF VASOPRESSIN RECEPTORS AVPR2, AVPR1A, AVPR1B AVPR2 1/4885AVPR1A 2/4885TP53 3885/4885

“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.