SCHEMBL18360400

SCHEMBL18360400

O=C(NCCSCc1ccccc1)c1cc2c(cc1F)COB2O

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.48
CA1 P00915 4/20 0.46
CA2 P00918 4/20 0.46
CA12 O43570 3/20 0.46
CA9 Q16790 3/20 0.46
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 1/20 0.45
PKM P14618 1/20 0.45
HPGD P15428 1/20 0.43
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.41

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
SCHEMBL18360467 0.88 LMNA (0.48) LMNASMN1; SMN2CA1CA2CA12
SCHEMBL18360485 0.86 CA1 (0.56) SMN1; SMN2CA1CA2CA12CA9
SCHEMBL18360533 0.85 LMNA (0.57) LMNASMN1; SMN2CA1CA2CA12
SCHEMBL18360483 0.84 CA1 (0.60) SMN1; SMN2CA1CA2CA12CA9
SCHEMBL18360527 0.82 CA1 (0.41) CA1CA2CA12CA9
SCHEMBL18360450 0.80 NPC1 (0.47) SMN1; SMN2CA1CA2CA12CA9
SCHEMBL28429389 0.80 CA1 (0.44) CA1CA2CA12CA9
SCHEMBL18360487 0.77 CA1 (0.42) CA1CA2CA12CA9
SCHEMBL29529370 0.77 CA1 (0.40) CA1CA2CA12CA9
SCHEMBL18360523 0.77 HPGD (0.48) LMNACA1CA2CA12CA9

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 2375/4885CA1 3964/4885

“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.