SCHEMBL18360498

SCHEMBL18360498

O=C(Nc1ccc2[nH]ncc2c1)c1ccc2c(c1)B(O)OC2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.62
CA1 P00915 1/20 0.62
CA2 P00918 1/20 0.62
CA9 Q16790 1/20 0.62
MAOB P27338 3/20 0.59
NPC1 O15118 4/20 0.58
RAB9A P51151 4/20 0.58
ROCK2 O75116 2/20 0.58
MAP4K4 O95819 2/20 0.58
RPS6KB1 P23443 2/20 0.58
CLK2 P49760 2/20 0.58
ROCK1 Q13464 2/20 0.58
DYRK1A Q13627 2/20 0.58
CLK4 Q9HAZ1 2/20 0.58
PRKD3 O94806 1/20 0.58
PRKG1 Q13976 1/20 0.58
PRKD2 Q9BZL6 1/20 0.58
SGK2 Q9HBY8 1/20 0.58
STK17A Q9UEE5 1/20 0.58
JAK2 O60674 1/20 0.58

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
SCHEMBL18354523 0.82 NPC1 (0.59) CA12CA1CA2CA9MAOB
SCHEMBL5415117 0.81 MAOB (0.80) MAOBNPC1RAB9AROCK2MAP4K4
SCHEMBL1823677 0.78 MAPK1 (0.49) CA12CA1CA2CA9
SCHEMBL2282888 0.77 CA1 (0.70) CA12CA1CA2CA9PRSS1
SCHEMBL2276212 0.77 CA1 (0.73) CA12CA1CA2CA9PRSS1
SCHEMBL16863691 0.75 CA1 (0.67) CA12CA1CA2CA9PRSS1
SCHEMBL2287068 0.75 CA1 (0.74) CA12CA1CA2CA9NPC1
SCHEMBL5381378 0.75 NPC1 (0.76) MAOBNPC1RAB9AROCK2MAP4K4
SCHEMBL2278817 0.75 CA1 (0.78) CA12CA1CA2CA9PRSS1
SCHEMBL2280424 0.75 CA1 (0.78) CA12CA1CA2CA9PRSS1

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 CA12 3115/4885CA1 3964/4885CA2 1649/4885

“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.