SCHEMBL18360537

SCHEMBL18360537

O=C(NCc1cccc(Cl)c1)c1cc2c(cc1F)COB2O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.47
CA2 P00918 4/20 0.47
CA12 O43570 2/20 0.47
CA9 Q16790 2/20 0.47
APEX1 P27695 1/20 0.44
MAPK1 P28482 1/20 0.43
MEN1 O00255 1/20 0.43
HCRTR1 O43613 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 1/20 0.43
TP53 P04637 2/20 0.42
POLB P06746 1/20 0.42
METAP2 P50579 1/20 0.42
CCR1 P32246 1/20 0.42
PPARG P37231 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
NPC1 O15118 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
SCHEMBL18360445 0.89 CA1 (0.49) CA1CA2CA12CA9APEX1
SCHEMBL18360483 0.88 CA1 (0.60) CA1CA2CA12CA9KMT2A
SCHEMBL18360507 0.84 CA1 (0.53) CA1CA2CA12CA9MEN1
SCHEMBL18360444 0.82 NPSR1 (0.49) CA1CA2CA12CA9KMT2A
SCHEMBL18360404 0.82 CA1 (0.41) CA1CA2CA12CA9METAP2
SCHEMBL18360523 0.81 HPGD (0.48) CA1CA2CA12CA9MEN1
SCHEMBL18360466 0.80 ALDH1A1 (0.49) CA1CA2CA12CA9MAPK1
SCHEMBL18360485 0.80 CA1 (0.56) CA1CA2CA12CA9NPC1
SCHEMBL18360471 0.80 PDE4A (0.52) CA1CA2CA12CA9
SCHEMBL18360397 0.79 CA1 (0.60) CA1CA2CA12CA9PPARG

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.