SCHEMBL785764

SCHEMBL785764

O=C(O)c1ccc2c(c1)C(NC(=O)c1cccnc1C(F)(F)F)CC2

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 5/20 0.43
HDAC6 Q9UBN7 1/20 0.43
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
TAS1R3 Q7RTX0 2/20 0.40
TAS1R1 Q7RTX1 2/20 0.40
TAS1R2 Q8TE23 1/20 0.40
P2RX7 Q99572 2/20 0.39
ALDH1A1 P00352 3/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
ACKR3 P25106 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
CTSS P25774 1/20 0.38
HPGDS O60760 1/20 0.38

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
SCHEMBL785763 1.00 WDR5 (0.43) WDR5HDAC6PDE4APDE4BPDE4C
SCHEMBL803716 0.89 PDE4A (0.43) WDR5HDAC6PDE4APDE4BPDE4C
SCHEMBL803693 0.89 PDE4A (0.43) WDR5HDAC6PDE4APDE4BPDE4C
SCHEMBL878347 0.85 PDE10A (0.41) WDR5HDAC6PDE4APDE4BPDE4C
SCHEMBL2817155 0.84 PDE4A (0.45) WDR5PDE4APDE4BPDE4CPDE4D
SCHEMBL2817156 0.84 PDE4A (0.45) WDR5PDE4APDE4BPDE4CPDE4D
SCHEMBL785745 0.83 WDR5 (0.47) WDR5PDE4APDE4BPDE4CPDE4D
SCHEMBL785669 0.83 WDR5 (0.47) WDR5PDE4APDE4BPDE4CPDE4D
SCHEMBL785708 0.82 MEN1 (0.52) WDR5PDE4APDE4BPDE4CPDE4D
SCHEMBL785939 0.82 MEN1 (0.52) WDR5PDE4APDE4BPDE4CPDE4D

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
EP-2619178-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2013-07-31 EP disclosed
CN-103097354-A Substituted benzamide compounds GRUENENTHAL CHEMIE 2013-05-08 CN disclosed
WO-2012038081-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-03-29 WO disclosed
WO-2012038081-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-03-29 WO disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US 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 (1 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-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 WDR5 2611/4885HDAC6 1974/4885PDE4A 944/4885

“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.