SCHEMBL8237189

SCHEMBL8237189

CC(C)(NC(=O)Cn1nc(-c2ccc(F)cc2)n(Cc2ccccc2F)c1=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
AVPR2 P30518 7/20 0.48
AVPR1A P37288 7/20 0.48
RECQL P46063 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 2/20 0.40
NR1I2 O75469 1/20 0.39
NR3C1 P04150 1/20 0.39
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
MEN1 O00255 1/20 0.37
PSMD14 O00487 1/20 0.37
POLB P06746 1/20 0.37
DNMT1 P26358 1/20 0.37
APOBEC3A P31941 1/20 0.37
BLM P54132 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37

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
SCHEMBL12057054 0.96 KDM4E (0.49) KDM4EAVPR2AVPR1ARECQLLMNA
SCHEMBL8234754 0.95 KDM4E (0.48) KDM4EAVPR2AVPR1ARECQLLMNA
SCHEMBL4500661 0.94 AVPR2 (0.55) KDM4EAVPR2AVPR1AMAPTNR1H2
SCHEMBL8228921 0.93 KDM4E (0.48) KDM4EAVPR2AVPR1ARECQLLMNA
SCHEMBL8237612 0.91 KDM4E (0.48) KDM4EAVPR2AVPR1ARECQLLMNA
SCHEMBL8237197 0.89 KDM4E (0.49) KDM4EAVPR2AVPR1ARECQLLMNA
SCHEMBL8227219 0.87 AVPR2 (0.57) AVPR2AVPR1AMAPTPOLB
SCHEMBL3983184 0.87 KDM4E (0.49) KDM4EAVPR2AVPR1ARECQLLMNA
SCHEMBL8228915 0.87 AVPR2 (0.50) KDM4EAVPR2AVPR1ARECQLLMNA
SCHEMBL8237193 0.86 KDM4E (0.46) KDM4EAVPR2AVPR1ARECQLLMNA

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 4481/4885AVPR2 1/4885AVPR1A 2/4885
US-20130005704-A1 SUBSTITUTED ARYLIMIDAZOLONE AND TRIAZOLONE AS INHIBITORS OF VASOPRESSIN RECEPTORS AVPR2, AVPR1A, AVPR1B KDM4E 4481/4885AVPR2 1/4885AVPR1A 2/4885

“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.