SCHEMBL8237137

SCHEMBL8237137

O=C(Cn1nc(-c2ccccc2Cl)n(C2CC2)c1=O)NCc1cccc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 3/20 0.46
AVPR1A P37288 3/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
LMNA P02545 2/20 0.43
HPGD P15428 2/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
TSHR P16473 2/20 0.43
PLA2G1B P04054 2/20 0.43
P2RX7 Q99572 1/20 0.43
POLB P06746 2/20 0.43
F2 P00734 1/20 0.42
F7 P08709 1/20 0.42
F3 P13726 1/20 0.42
ATM Q13315 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
GAA P10253 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL8235911 0.92 LMNA (0.48) AVPR2AVPR1ALMNAHPGDKMT2A
SCHEMBL8234717 0.91 ALDH1A1 (0.46) AVPR2AVPR1AKMT2AMEN1TSHR
SCHEMBL8235316 0.89 CNR1 (0.49) LMNAKMT2AMEN1TSHRPOLB
SCHEMBL8227808 0.88 TP53 (0.47) LMNAKMT2AMEN1TSHRPOLB
SCHEMBL4511121 0.88 NPC1 (0.47) AVPR2AVPR1ANPC1KMT2ATSHR
SCHEMBL4497103 0.87 AVPR2 (0.61) AVPR2AVPR1ALMNAHPGDKMT2A
SCHEMBL4504103 0.86 AVPR2 (0.52) AVPR2AVPR1ALMNAHPGDKMT2A
SCHEMBL8233187 0.86 AVPR2 (0.53) AVPR2AVPR1ANPC1RAB9AKMT2A
SCHEMBL8227990 0.86 P2RX7 (0.43) AVPR2AVPR1ANPC1RAB9AKMT2A
SCHEMBL8227344 0.84 AVPR2 (0.51) AVPR2AVPR1AKMT2ATSHRP2RX7

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 2/4885NPC1 2888/4885
US-20130005704-A1 SUBSTITUTED ARYLIMIDAZOLONE AND TRIAZOLONE AS INHIBITORS OF VASOPRESSIN RECEPTORS AVPR2, AVPR1A, AVPR1B AVPR2 1/4885AVPR1A 2/4885NPC1 2888/4885

“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.