SCHEMBL785669

SCHEMBL785669

O=C(O)c1ccc2c(c1)C(NC(=O)c1ccccc1C(F)(F)F)CC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.47
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
TAS1R3 Q7RTX0 6/20 0.45
TAS1R1 Q7RTX1 6/20 0.45
TAS1R2 Q8TE23 4/20 0.45
HTT P42858 1/20 0.44
LMNA P02545 2/20 0.43
KCNK3 O14649 1/20 0.43
KCNK9 Q9NPC2 1/20 0.43
GAA P10253 1/20 0.43
CTSS P25774 1/20 0.42
PTGES O14684 1/20 0.42
PPIA P62937 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
CRBN Q96SW2 1/20 0.41
HCRTR1 O43613 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
SCHEMBL785745 1.00 WDR5 (0.47) WDR5PDE4APDE4BPDE4CPDE4D
SCHEMBL785747 0.89 TAS1R3 (0.47) WDR5PDE4APDE4BPDE4CPDE4D
SCHEMBL785748 0.89 TAS1R3 (0.47) WDR5PDE4APDE4BPDE4CPDE4D
SCHEMBL784747 0.89 PDE4A (0.48) WDR5PDE4APDE4BPDE4CPDE4D
SCHEMBL784746 0.89 PDE4A (0.48) WDR5PDE4APDE4BPDE4CPDE4D
SCHEMBL803558 0.88 PDE4A (0.48) WDR5PDE4APDE4BPDE4CPDE4D
SCHEMBL784670 0.85 WDR5 (0.47) WDR5PDE4APDE4BPDE4CPDE4D
SCHEMBL784669 0.85 WDR5 (0.47) WDR5PDE4APDE4BPDE4CPDE4D
SCHEMBL784977 0.85 TAS1R3 (0.50) WDR5PDE4APDE4BPDE4CPDE4D
SCHEMBL784803 0.85 TAS1R3 (0.50) 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 2 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-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 2611/4885PDE4A 944/4885PDE4B 939/4885

“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.