SCHEMBL4416995

SCHEMBL4416995

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

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.50
TOP2A P11388 1/20 0.40
DNM1 Q05193 2/20 0.39
CNR2 P34972 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
DNM2 P50570 4/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36

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
SCHEMBL4553098 0.85 HTR6 (0.41) HTR6CNR2ALDH1A1PDE4APDE4B
SCHEMBL13354930 0.72 CYP1A2 (0.56) TOP2ACNR2ALDH1A1CYP1A2POLB
SCHEMBL4429023 0.71 HTR6 (0.55) HTR6TOP2A
SCHEMBL4426419 0.71 HTR6 (0.51) HTR6ALDH1A1CYP1A2POLB
SCHEMBL4418543 0.70 KMT2A (0.43) HTR6TOP2ACNR2ALDH1A1CYP1A2
SCHEMBL4422242 0.70 HTT (0.40) HTR6CNR2ALDH1A1POLB
SCHEMBL6421284 0.70 CNR2 (0.57) CNR2ALDH1A1
SCHEMBL4417556 0.69 PDE4A (0.39) HTR6ALDH1A1PDE4APDE4BPDE4C
SCHEMBL4429045 0.68 PKM (0.40) HTR6TOP2ACNR2ALDH1A1CYP1A2
SCHEMBL25316072 0.68 CNR2 (0.56) CNR2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7608717-B2 Sulfonyldihydroimidazopyridinone compounds as 5-hydroxytryptamine-6 ligands WYETH (US) 2009-10-27 US disclosed
US-7544701-B2 Sulfonyldihydrobenzimidazolone compounds as 5-hydroxytryptamine-6 ligands WYETH (US) 2009-06-09 US disclosed
US-20080070943-A1 Sulfonyldihydroimidazopyridinone compounds as 5-hydroxytryptamine-6 ligands WYETH (US) 2008-03-20 US disclosed
US-7291736-B2 Sulfonyldihydroimidazopyridinone compounds as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-11-06 US disclosed
US-20050020575-A1 Sulfonyldihydrobenzimidazolone compounds as 5-hydroxytryptamine-6 ligands WYETH (US) 2005-01-27 US disclosed
US-20050020596-A1 Sulfonyldihydroimidazopyridinone 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 (3 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-20080070943-A1 Sulfonyldihydroimidazopyridinone compounds as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR2C HTR6 1/4885TOP2A 2603/4885DNM1 3023/4885
US-20050020596-A1 Sulfonyldihydroimidazopyridinone compounds as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR2C HTR6 1/4885TOP2A 2603/4885DNM1 3023/4885
US-20050020575-A1 Sulfonyldihydrobenzimidazolone compounds as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR1B HTR6 1/4885TOP2A 3503/4885DNM1 3274/4885

“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.