SCHEMBL18360482

SCHEMBL18360482

O=C(NCc1ccc(Oc2ccccc2)cc1)c1cc2c(cc1Cl)COB2O

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.52
PDE4B Q07343 3/20 0.52
PDE4C Q08493 3/20 0.52
PDE4D Q08499 3/20 0.52
CA12 O43570 2/20 0.51
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
CA9 Q16790 2/20 0.51
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ROCK2 O75116 1/20 0.45
ROCK1 Q13464 1/20 0.45

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
SCHEMBL18360397 0.91 CA1 (0.60) CA12CA1CA2CA9
SCHEMBL18360471 0.88 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DCA12
SCHEMBL18360535 0.88 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DCA12
SCHEMBL18360443 0.82 NPC1 (0.56) CA1CA2CA9ALDH1A1HPGD
SCHEMBL18360445 0.81 CA1 (0.49) CA12CA1CA2CA9HPGD
SCHEMBL18360442 0.81 CA1 (0.45) CA12CA1CA2CA9ALDH1A1
SCHEMBL18360475 0.80 CA1 (0.56) CA12CA1CA2CA9L3MBTL1
SCHEMBL18360484 0.80 CA1 (0.43) CA12CA1CA2CA9L3MBTL1
SCHEMBL2531416 0.79 PDE4B (0.57) PDE4APDE4BPDE4CPDE4D
SCHEMBL18360472 0.79 HTT (0.51) CA12CA1CA2CA9ALDH1A1

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.