SCHEMBL18360451

SCHEMBL18360451

CSc1nc(NC(=O)c2cc3c(cc2Cl)COB3O)n[nH]1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 11/20 0.38
▸ CA2 P00918 11/20 0.38
▸ CA12 O43570 7/20 0.35
▸ CA9 Q16790 7/20 0.35
▸ BTK Q06187 1/20 0.35
▸ F2 P00734 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CA4 P22748 5/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ PDE4A P27815 1/20 0.33
▸ PDE4B Q07343 1/20 0.33

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
SCHEMBL18360481 0.88 CA1 (0.36) CA1CA2CA12CA9BTK
SCHEMBL18354113 0.76 LMNA (0.46) CA1CA2CA12CA9BTK
SCHEMBL4784090 0.73 HPGD (0.48) F2MAPTHPGDKMT2ASMN1; SMN2
SCHEMBL18354781 0.72 NPC1 (0.49) MAPTHPGDKMT2ASMN1; SMN2L3MBTL1
SCHEMBL18354523 0.72 NPC1 (0.59) CA1CA2CA12CA9
SCHEMBL18354766 0.72 CA1 (0.48) CA1CA2CA12CA9
SCHEMBL18354112 0.71 KMT2A (0.48) CA1CA2CA12CA9MAPT
SCHEMBL18360452 0.71 ALPL (0.54) CA1CA2CA12CA9MAPT
SCHEMBL18360449 0.71 CA1 (0.41) CA1CA2CA12CA9KMT2A
SCHEMBL18354524 0.71 MEN1 (0.40) CA1CA2CA12CA9KMT2A

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.

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