SCHEMBL18360533

SCHEMBL18360533

O=C(NCCSCc1ccccc1)c1ccc2c(c1)B(O)OC2

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
MAPT P10636 1/20 0.54
CA1 P00915 3/20 0.52
CA2 P00918 3/20 0.52
CA12 O43570 2/20 0.52
CA9 Q16790 2/20 0.52
CA4 P22748 1/20 0.52
ALDH1A1 P00352 4/20 0.52
KDM4E B2RXH2 1/20 0.52
HTT P42858 1/20 0.49

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
SCHEMBL18360456 0.85 CA1 (0.62) CA1CA2CA12CA9CA4
SCHEMBL18360400 0.85 LMNA (0.53) LMNASMN1; SMN2MAPTCA1CA2
SCHEMBL18360467 0.85 LMNA (0.48) LMNASMN1; SMN2MAPTCA1CA2
SCHEMBL30616868 0.83 CA1 (0.67) CA1CA2CA12CA9CA4
SCHEMBL18360541 0.83 CA1 (0.67) CA1CA2CA12CA9CA4
SCHEMBL19608561 0.83 CA1 (0.54) CA1CA2CA12CA9CA4
SCHEMBL18360539 0.79 CA1 (0.52) CA1CA2CA12CA9CA4
SCHEMBL16906829 0.79 CA1 (0.61) CA1CA2CA12CA9CA4
SCHEMBL18360414 0.78 MCHR1 (0.51) LMNASMN1; SMN2CA1CA2CA12
SCHEMBL18360459 0.78 NPC1 (0.57) SMN1; SMN2CA1CA2CA12CA9

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 LMNA 2058/4885SMN1; SMN2 2375/4885MAPT 2010/4885

“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.