SCHEMBL6069296

SCHEMBL6069296

N[C@H]1COc2ccccc2SC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 2/20 0.39
DAO P14920 1/20 0.37
SCN5A Q14524 1/20 0.37
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
CA2 P00918 1/20 0.33
OXTR P30559 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
ITGB2 P05107 1/20 0.32
ICAM1 P05362 1/20 0.32
ITGAL P20701 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32
DRD1 P21728 1/20 0.32
TBXA2R P21731 1/20 0.32
SLC6A2 P23975 1/20 0.32
ADRA1A P35348 1/20 0.32
DRD3 P35462 1/20 0.32
LTA4H P09960 1/20 0.31

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
SCHEMBL2071541 1.00 NISCH (0.39) NISCHDAOSCN5AALDH1A1HPGD
SCHEMBL2069021 1.00 NISCH (0.39) NISCHDAOSCN5AALDH1A1HPGD
SCHEMBL7166201 0.78 NISCH (0.38) NISCHDAOSCN5AALDH1A1HPGD
SCHEMBL7166205 0.78 NISCH (0.38) NISCHDAOSCN5AALDH1A1HPGD
SCHEMBL6068629 0.76 CYP19A1 (0.35) ALDH1A1CA2HTR1ASLC6A2
SCHEMBL6068624 0.76 CYP19A1 (0.35) ALDH1A1CA2HTR1ASLC6A2
SCHEMBL18365855 0.75 ABCG2 (0.50) NISCHCA2ABCG2ITGB2ICAM1
SCHEMBL6068846 0.73 MAP3K14 (0.35) NISCHSLC6A2
SCHEMBL6068844 0.73 MAP3K14 (0.35) NISCHSLC6A2
SCHEMBL29395105 0.69

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7109234-B2 Benzoxathiepine derivatives and their use as medicines PIERRE FABRE MEDICAMENT (FR) 2006-09-19 US disclosed
EP-1370547-B1 BENZOAXATHIEPIN DERIVATIVES AND THEIR USE AS MEDICINES PF MEDICAMENT (FR) 2004-09-15 EP disclosed
US-20040127552-A1 Benzoaxathiepin derivatives and their use as medicines PIERRE FABRE MEDICAMENT (FR) 2004-07-01 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-20040127552-A1 Benzoaxathiepin derivatives and their use as medicines CYP4A11, CYP3A4, CYP4F11 NISCH 1540/4885DAO 288/4885SCN5A 2574/4885

“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.