SCHEMBL18360467

SCHEMBL18360467

O=C(NCCSCc1ccccc1)c1cc2c(cc1Cl)COB2O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
ALDH1A1 P00352 5/20 0.47
HTT P42858 1/20 0.47
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA12 O43570 2/20 0.46
CA9 Q16790 2/20 0.46
KDM4E B2RXH2 1/20 0.45
PKM P14618 1/20 0.45
HPGD P15428 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 2/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL18360400 0.88 LMNA (0.53) LMNASMN1; SMN2ALDH1A1HTTCA1
SCHEMBL18360475 0.86 CA1 (0.56) LMNACA1CA2CA12CA9
SCHEMBL18360533 0.85 LMNA (0.57) LMNASMN1; SMN2ALDH1A1HTTCA1
SCHEMBL18360397 0.84 CA1 (0.60) CA1CA2CA12CA9
SCHEMBL18360514 0.79 CA1 (0.39) CA1CA2CA12CA9
SCHEMBL18360445 0.77 CA1 (0.49) LMNACA1CA2CA12CA9
SCHEMBL18360398 0.76 NPC1 (0.52) LMNASMN1; SMN2ALDH1A1HTTCA1
SCHEMBL18360513 0.76 CA1 (0.41) CA1CA2CA12CA9
SCHEMBL18360472 0.75 HTT (0.51) LMNASMN1; SMN2ALDH1A1HTTCA1
SCHEMBL18360469 0.75 CA1 (0.40) 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 LMNA 2058/4885SMN1; SMN2 2375/4885ALDH1A1 1143/4885

“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.