SCHEMBL18360417

SCHEMBL18360417

O=C(NCc1ccc(-n2cccn2)cc1)c1ccc2c(c1)B(O)OC2

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 3/20 0.51
CA1 P00915 5/20 0.47
CA2 P00918 5/20 0.47
CA9 Q16790 5/20 0.47
CA12 O43570 4/20 0.47
TNKS O95271 1/20 0.46
PARP1 P09874 1/20 0.46
TNKS2 Q9H2K2 1/20 0.46
CA4 P22748 2/20 0.45
KLK1 P06870 1/20 0.42
CA7 P43166 1/20 0.42
DGAT1 O75907 2/20 0.42
LMNA P02545 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
SCHEMBL18360525 0.86 TNKS (0.46) KLKB1CA1CA2CA9CA12
SCHEMBL18360446 0.86 TNKS (0.46) KLKB1CA1CA2CA9CA12
SCHEMBL30616868 0.81 CA1 (0.67) CA1CA2CA9CA12CA4
SCHEMBL18360541 0.81 CA1 (0.67) CA1CA2CA9CA12CA4
SCHEMBL30616853 0.81 CA1 (0.59) CA1CA2CA9CA12CA4
SCHEMBL16863676 0.79 CA1 (0.55) CA1CA2CA9CA12CA4
SCHEMBL18360455 0.78 CYP1A2 (0.57) CA1CA2CA9CA12CA4
SCHEMBL18360416 0.77 NPC1 (0.52) CA1CA2CA9CA12CA4
SCHEMBL30616863 0.77 CA12 (0.57) CA1CA2CA9CA12CA4
SCHEMBL18360510 0.76 EPHX2 (0.53) CA1CA2CA9CA12CA4

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 KLKB1 3565/4885CA1 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.