SCHEMBL18360405

SCHEMBL18360405

O=C(Nc1ccc(-n2cccc2)cc1)c1cc2c(cc1Cl)COB2O

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA1 P00915 9/20 0.47
CA2 P00918 9/20 0.47
CA12 O43570 6/20 0.47
CA9 Q16790 6/20 0.47
CA4 P22748 3/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL18360493 0.87 CA1 (0.47) CA1CA2CA12CA9CA4
SCHEMBL18354762 0.81 CA1 (0.50) CA1CA2CA12CA9CA4
SCHEMBL18360515 0.81 CA1 (0.62) CA1CA2CA12CA9CA4
SCHEMBL18360526 0.78 ENPP2 (0.53) CA1CA2CA12CA9CA4
SCHEMBL18355006 0.78 CYP1A2 (0.50) CA1CA2CA12CA9CA4
SCHEMBL18360470 0.77 CYP2C19 (0.60) CA1CA2CA12CA9KMT2A
SCHEMBL18355007 0.75 RORC (0.48) CA1CA2CA12CA9HTT
SCHEMBL18354523 0.74 NPC1 (0.59) CA1CA2CA12CA9
SCHEMBL18354766 0.74 CA1 (0.48) CA1CA2CA12CA9
SCHEMBL17333153 0.74 CA1 (0.58) CA1CA2CA12CA9CA4

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

“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.