SCHEMBL18360485

SCHEMBL18360485

O=C(NCCc1ccccc1)c1cc2c(cc1F)COB2O

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.56
CA2 P00918 4/20 0.56
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
CA12 O43570 3/20 0.50
CA9 Q16790 3/20 0.50
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL18360483 0.89 CA1 (0.60) CA1CA2CA12CA9SMN1; SMN2
SCHEMBL18360475 0.87 CA1 (0.56) CA1CA2NPC1RAB9ACA12
SCHEMBL18360400 0.86 LMNA (0.53) CA1CA2CA12CA9ALDH1A1
SCHEMBL18360544 0.84 MAPT (0.45) CA1CA2CA12CA9
SCHEMBL18360403 0.84 NPC1 (0.47) CA1CA2NPC1RAB9ACA12
SCHEMBL18360450 0.84 NPC1 (0.47) CA1CA2NPC1RAB9ACA12
SCHEMBL28429389 0.84 CA1 (0.44) CA1CA2CA12CA9
SCHEMBL18354110 0.83 NPC1 (0.53) NPC1RAB9AALDH1A1
SCHEMBL18360456 0.83 CA1 (0.62) CA1CA2NPC1RAB9ACA12
SCHEMBL18360487 0.81 CA1 (0.42) CA1CA2CA12CA9

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 1649/4885NPC1 1614/4885

“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.