SCHEMBL3919085

SCHEMBL3919085

CN(C)C(=O)C(NC(=O)O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KLRK1 P26718 16/20 0.64
MICA Q29983 16/20 0.64
RAET1L Q5VY80 15/20 0.64
TP53 P04637 1/20 0.48
PDE2A O00408 1/20 0.47
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TACR1 P25103 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
SCHEMBL8235992 0.85 KLRK1 (0.59) KLRK1MICARAET1LTP53
SCHEMBL11906215 0.80 ALDH1A1 (0.47) KLRK1MICARAET1LATML3MBTL1
SCHEMBL3506072 0.79 TACR3 (0.51) KLRK1MICARAET1L
SCHEMBL15109749 0.79 ATM (0.57) TP53ATML3MBTL1
SCHEMBL8234513 0.77 KLRK1 (0.50) KLRK1MICARAET1LTP53TACR1
SCHEMBL15226545 0.76 TACR1 (0.43) KLRK1MICARAET1LATML3MBTL1
SCHEMBL15226465 0.76 MEN1 (0.45) KLRK1MICARAET1LATML3MBTL1
SCHEMBL15226581 0.75 TACR1 (0.49) KLRK1MICARAET1LTACR1
SCHEMBL5330139 0.74 ACP3 (0.46) TP53ATML3MBTL1
SCHEMBL8752678 0.74 NPSR1 (0.49) KLRK1MICARAET1LATML3MBTL1

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 6 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-20090312381-A1 Substituted Arylimidazolone and Triazolone as Inhibitors of Vasopressin Receptors BAYER HEALTHCARE AG (DE) 2009-12-17 US disclosed
EP-2027096-A1 SUBSTITUTED ARYLIMIDAZ0L0NE AND TRIAZ0L0NE AS INHIBITORS OF VASOPRESSIN RECEPTORS Bayer HealthCare AG (DE) 2009-02-25 EP 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 KLRK1 2193/4885MICA 4479/4885RAET1L 3041/4885
US-20130005704-A1 SUBSTITUTED ARYLIMIDAZOLONE AND TRIAZOLONE AS INHIBITORS OF VASOPRESSIN RECEPTORS AVPR2, AVPR1A, AVPR1B KLRK1 2193/4885MICA 4479/4885RAET1L 3041/4885

“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.