SCHEMBL8237181

SCHEMBL8237181

O=C(Cn1cc(-c2ccc(Br)cc2)n(C2CC2)c1=O)NCc1cccc(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
HRH3 Q9Y5N1 1/20 0.42
POLB P06746 1/20 0.42
PIM1 P11309 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
ATM Q13315 1/20 0.40
KMT2A Q03164 2/20 0.39
TSHR P16473 1/20 0.39
MLYCD O95822 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL8228884 0.92 NPC1 (0.49) P2RX7L3MBTL1NPC1RAB9AHRH3
SCHEMBL8739493 0.91 P2RX7 (0.44) P2RX7L3MBTL1NPC1RAB9AHRH3
SCHEMBL4506534 0.91 NPC1 (0.47) P2RX7L3MBTL1NPC1RAB9AHRH3
SCHEMBL4500521 0.83 SOS1 (0.43) L3MBTL1POLBATMKMT2AKDM4E
SCHEMBL8234682 0.82 AVPR2 (0.51) P2RX7L3MBTL1NPC1RAB9AHRH3
SCHEMBL14460113 0.78 KMT2A (0.44) POLBKMT2ATSHR
SCHEMBL12057039 0.78 AOC3 (0.47) L3MBTL1NPC1RAB9APOLBKMT2A
SCHEMBL14460110 0.78 TP53 (0.45) KMT2A
SCHEMBL8237613 0.75 CNR2 (0.41) POLBKMT2A
SCHEMBL8233187 0.75 AVPR2 (0.53) P2RX7L3MBTL1NPC1RAB9AHRH3

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
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 P2RX7 1263/4885L3MBTL1 4160/4885NPC1 2888/4885
US-20130005704-A1 SUBSTITUTED ARYLIMIDAZOLONE AND TRIAZOLONE AS INHIBITORS OF VASOPRESSIN RECEPTORS AVPR2, AVPR1A, AVPR1B P2RX7 1263/4885L3MBTL1 4160/4885NPC1 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.