SCHEMBL18360535

SCHEMBL18360535

COc1ccc(CNC(=O)c2cc3c(cc2Cl)COB3O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
HSP90AA1 P07900 2/20 0.47
HSP90AB1 P08238 1/20 0.47
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
KMT2A Q03164 2/20 0.45
CA12 O43570 1/20 0.45
CA9 Q16790 1/20 0.45
HPGD P15428 3/20 0.45
MAPT P10636 2/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
ROCK2 O75116 1/20 0.44
ROCK1 Q13464 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL18360482 0.88 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DCA1
SCHEMBL18360490 0.88 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DCA1
SCHEMBL18360397 0.86 CA1 (0.60) HSP90AA1CA1CA2CA12CA9
SCHEMBL18360442 0.84 CA1 (0.45) CA1CA2KMT2ACA12CA9
SCHEMBL18360416 0.84 NPC1 (0.52) PDE4APDE4BPDE4CPDE4DCA1
SCHEMBL18360484 0.81 CA1 (0.43) CA1CA2CA12CA9ROCK2
SCHEMBL18360445 0.81 CA1 (0.49) CA1CA2KMT2ACA12CA9
SCHEMBL18360448 0.80 MEN1 (0.49) KMT2AHPGDMAPTLMNAMEN1
SCHEMBL2527747 0.78 PDE4B (0.67) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL18360472 0.78 HTT (0.51) CA1CA2KMT2ACA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170000133-A1 BENZOXABOROLE FUNGICIDES SYNGENTA PARTICIPATIONS AG (SE) 2017-01-05 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-20170000133-A1 BENZOXABOROLE FUNGICIDES CYP4X1, BROX, CYP1B1 PDE4A 2634/4885PDE4B 1495/4885PDE4C 2795/4885

“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.