SCHEMBL8235535

SCHEMBL8235535

O=C(Cn1nc(-c2ccc(Cl)cc2)n(C2CC2)c1=O)NCc1cc(C(F)(F)F)ccc1F

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 9/20 0.49
AVPR1A P37288 9/20 0.49
POLB P06746 2/20 0.47
KMT2A Q03164 1/20 0.43
CNR1 P21554 3/20 0.41
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
CTSS P25774 1/20 0.38
TSHR P16473 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
SCHEMBL8232793 0.93 AVPR2 (0.49) AVPR2AVPR1APOLBTP53MAPT
SCHEMBL8233508 0.91 CNR1 (0.46) AVPR2AVPR1ACNR1TP53MAPT
SCHEMBL4502021 0.88 CNR1 (0.42) AVPR2AVPR1APOLBCNR1TP53
SCHEMBL8235328 0.88 AVPR2 (0.49) AVPR2AVPR1ACNR1TP53MAPT
SCHEMBL4497103 0.86 AVPR2 (0.61) AVPR2AVPR1AKMT2ATP53MAPT
SCHEMBL8232698 0.85 P2RX7 (0.46) AVPR2AVPR1ACNR1
SCHEMBL8227175 0.85 AVPR2 (0.43) AVPR2AVPR1ACNR1TP53
SCHEMBL8234701 0.84 AVPR2 (0.46) AVPR2AVPR1A
SCHEMBL12057111 0.83 P2RX7 (0.51) AVPR2AVPR1A
SCHEMBL4513387 0.83 AVPR2 (0.57) AVPR2AVPR1ATP53MAPT

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 2/4885POLB 4652/4885
US-20130005704-A1 SUBSTITUTED ARYLIMIDAZOLONE AND TRIAZOLONE AS INHIBITORS OF VASOPRESSIN RECEPTORS AVPR2, AVPR1A, AVPR1B AVPR2 1/4885AVPR1A 2/4885POLB 4652/4885

“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.