SCHEMBL4553098

SCHEMBL4553098

CCCCCS(=O)(=O)n1c(=O)n(CCN)c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.41
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
CNR2 P34972 4/20 0.37
PGR P06401 1/20 0.37
RORA P35398 1/20 0.37
RORC P51449 1/20 0.37
RORB Q92753 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TLR8 Q9NR97 2/20 0.35
TSHR P16473 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35

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
SCHEMBL4416995 0.85 HTR6 (0.50) HTR6ALDH1A1CNR2PDE4APDE4B
SCHEMBL4417556 0.83 PDE4A (0.39) HTR6ALDH1A1HTTPDE4APDE4B
SCHEMBL6421284 0.71 CNR2 (0.57) ALDH1A1HTTCNR2PGRRORA
SCHEMBL8862370 0.70 CNR2 (0.56) ALDH1A1HTTCNR2PGRRORA
SCHEMBL30484777 0.70 CNR2 (0.56) ALDH1A1HTTCNR2PGRRORA
SCHEMBL25316072 0.70 CNR2 (0.56) ALDH1A1HTTCNR2PGRRORA
SCHEMBL30484776 0.70 CNR2 (0.56) ALDH1A1HTTCNR2PGRRORA
SCHEMBL25318908 0.70 CNR2 (0.56) ALDH1A1HTTCNR2PGRRORA
SCHEMBL28002722 0.70 CNR2 (0.56) ALDH1A1HTTCNR2PGRRORA
SCHEMBL16822023 0.70 CYP1A2 (0.59) ALDH1A1MEN1KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7544701-B2 Sulfonyldihydrobenzimidazolone compounds as 5-hydroxytryptamine-6 ligands WYETH (US) 2009-06-09 US disclosed
US-20050020575-A1 Sulfonyldihydrobenzimidazolone compounds as 5-hydroxytryptamine-6 ligands WYETH (US) 2005-01-27 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-20050020575-A1 Sulfonyldihydrobenzimidazolone compounds as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR1B HTR6 1/4885ALDH1A1 935/4885HTT 309/4885

“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.