SCHEMBL8227808

SCHEMBL8227808

Cc1cccc(CNC(=O)Cn2nc(-c3ccccc3Cl)n(C3CC3)c2=O)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.47
RXFP1 Q9HBX9 1/20 0.47
LMNA P02545 2/20 0.44
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 4/20 0.41
THRB P10828 1/20 0.41
CXCR4 P61073 2/20 0.40
MAPT P10636 1/20 0.39
TSHR P16473 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39

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
SCHEMBL8235316 0.90 CNR1 (0.49) TP53RXFP1LMNAMEN1KMT2A
SCHEMBL8237137 0.88 AVPR2 (0.46) LMNAMEN1KMT2APOLBTSHR
SCHEMBL8233097 0.86 TP53 (0.54) TP53RXFP1MEN1KMT2ATHRB
SCHEMBL8235350 0.84 TP53 (0.42) TP53RXFP1LMNAMEN1KMT2A
SCHEMBL8235319 0.83 GPR139 (0.49)
SCHEMBL8233191 0.80 LMNA (0.51) TP53LMNAKMT2APOLBMAPT
SCHEMBL8235911 0.79 LMNA (0.48) TP53LMNAMEN1KMT2A
SCHEMBL8235505 0.79 ALDH1A1 (0.47) TP53MEN1KMT2APOLBMAPT
SCHEMBL8232810 0.79 AVPR2 (0.41) LMNAMEN1KMT2ACYP1A2CYP3A4
SCHEMBL8235910 0.79 LMNA (0.49) TP53LMNAMEN1KMT2APOLB

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 3885/4885RXFP1 67/4885LMNA 2681/4885
US-20130005704-A1 SUBSTITUTED ARYLIMIDAZOLONE AND TRIAZOLONE AS INHIBITORS OF VASOPRESSIN RECEPTORS AVPR2, AVPR1A, AVPR1B TP53 3885/4885RXFP1 67/4885LMNA 2681/4885

“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.