SCHEMBL785708

SCHEMBL785708

COc1ncccc1C(=O)NC1CCc2ccc(C(=O)O)cc21

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
PDE4A P27815 1/20 0.50
PDE4B Q07343 1/20 0.50
PDE4C Q08493 1/20 0.50
PDE4D Q08499 1/20 0.50
TAS1R3 Q7RTX0 1/20 0.48
TAS1R1 Q7RTX1 1/20 0.48
ROCK2 O75116 1/20 0.46
HPGDS O60760 1/20 0.46
WDR5 P61964 6/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
TDP1 Q9NUW8 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 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
SCHEMBL785939 1.00 MEN1 (0.52) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL803539 0.92 MEN1 (0.52) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL2817155 0.86 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DTAS1R3
SCHEMBL2817156 0.86 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DTAS1R3
SCHEMBL785763 0.82 WDR5 (0.43) PDE4APDE4BPDE4CPDE4DTAS1R3
SCHEMBL785764 0.82 WDR5 (0.43) PDE4APDE4BPDE4CPDE4DTAS1R3
SCHEMBL2817638 0.80 PDE4A (0.46) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL2817640 0.80 PDE4A (0.46) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL784366 0.80 MEN1 (0.46) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL485045 0.79 MEN1 (0.51) MEN1KMT2APDE4APDE4BPDE4C

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 MEN1 2563/4885KMT2A 2222/4885PDE4A 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.