SCHEMBL18360445

SCHEMBL18360445

O=C(NCc1cccc(Cl)c1)c1cc2c(cc1Cl)COB2O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.49
CA2 P00918 5/20 0.49
CA12 O43570 2/20 0.49
CA9 Q16790 2/20 0.49
APEX1 P27695 1/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
MEN1 O00255 1/20 0.44
HCRTR1 O43613 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPT P10636 1/20 0.44
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.42
ROCK2 O75116 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
SCHEMBL18360397 0.90 CA1 (0.60) CA1CA2CA12CA9
SCHEMBL18360537 0.89 CA1 (0.47) CA1CA2CA12CA9APEX1
SCHEMBL18360507 0.86 CA1 (0.53) CA1CA2CA12CA9LMNA
SCHEMBL18360472 0.84 HTT (0.51) CA1CA2CA12CA9LMNA
SCHEMBL18360448 0.82 MEN1 (0.49) LMNAHPGDMEN1KMT2AMAPT
SCHEMBL18360475 0.81 CA1 (0.56) CA1CA2CA12CA9LMNA
SCHEMBL18360482 0.81 PDE4A (0.52) CA1CA2CA12CA9HPGD
SCHEMBL18360535 0.81 PDE4A (0.47) CA1CA2CA12CA9LMNA
SCHEMBL18360484 0.81 CA1 (0.43) CA1CA2CA12CA9ROCK2
SCHEMBL18360442 0.80 CA1 (0.45) CA1CA2CA12CA9MEN1

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.