SCHEMBL8233174

SCHEMBL8233174

Cc1ccc(-c2nn(CC(=O)NCc3ccccc3)c(=O)n2C)cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
TP53 P04637 2/20 0.53
SMN1; SMN2 Q16637 4/20 0.52
LMNA P02545 2/20 0.52
HTT P42858 2/20 0.52
ALDH1A1 P00352 1/20 0.52
POLB P06746 3/20 0.50
TSHR P16473 2/20 0.50
MAPT P10636 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
CYP3A4 P08684 1/20 0.49

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
SCHEMBL8233440 0.89 LMNA (0.66) TP53SMN1; SMN2LMNAHTTALDH1A1
SCHEMBL8235501 0.85 MAPT (0.50) KDM4EALDH1A1POLBTSHRMAPT
SCHEMBL8233442 0.80 KMT2A (0.64) TP53HTTMEN1KMT2A
SCHEMBL8227983 0.80 KMT2A (0.64) TP53HTTMEN1KMT2A
SCHEMBL8235007 0.78 LMNA (0.45) TP53LMNAMAPTCYP3A4
SCHEMBL8228887 0.77 AVPR2 (0.55) TP53LMNAHTTPOLBTSHR
SCHEMBL8235008 0.76 SMN1; SMN2 (0.55) KDM4ETP53SMN1; SMN2LMNAHTT
SCHEMBL8233139 0.75 TP53 (0.56) TP53POLBTSHRMAPT
SCHEMBL8233185 0.74 CNR1 (0.48) TP53SMN1; SMN2LMNAPOLBTSHR
SCHEMBL8235336 0.74 AVPR2 (0.49) LMNAPOLBTSHR

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 KDM4E 4481/4885TP53 3885/4885SMN1; SMN2 4777/4885
US-20130005704-A1 SUBSTITUTED ARYLIMIDAZOLONE AND TRIAZOLONE AS INHIBITORS OF VASOPRESSIN RECEPTORS AVPR2, AVPR1A, AVPR1B KDM4E 4481/4885TP53 3885/4885SMN1; SMN2 4777/4885

“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.