SCHEMBL4422232

SCHEMBL4422232

NCCn1c(=O)n(S(=O)(=O)c2ccc(Cl)s2)c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 8/20 0.53
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
LMNA P02545 3/20 0.41
MAPK1 P28482 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
GAA P10253 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ALOX12 P18054 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.35
MCOLN3 Q8TDD5 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
SCHEMBL4421827 0.85 HTR6 (0.53) HTR6CYP2C9CYP2C19POLBCYP3A4
SCHEMBL4418543 0.84 KMT2A (0.43) HTR6CYP2C9CYP2C19POLBCYP3A4
SCHEMBL4272323 0.84 HTR6 (0.45) HTR6CYP2C9CYP2C19CYP3A4MAPT
SCHEMBL4431728 0.71 HTR6 (0.49) HTR6MAPTLMNAMAPK1GAA
SCHEMBL4417784 0.70 HTR6 (0.60) HTR6POLBCYP3A4MAPTMAPK1
SCHEMBL4422242 0.70 HTT (0.40) HTR6CYP2C9CYP2C19POLBCYP3A4
SCHEMBL4432222 0.69 HTR6 (0.45) HTR6CYP2C9CYP2C19POLBCYP3A4
SCHEMBL13563403 0.67 L3MBTL1 (0.43) LMNASMN1; SMN2TDP1L3MBTL1CYP1A2
SCHEMBL4417941 0.67 HTR6 (0.60) HTR6CYP2C9CYP2C19POLBCYP3A4
SCHEMBL4553098 0.67 HTR6 (0.41) HTR6ALDH1A1HTTTSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1654258-A1 SULFONYLDIHYDRO- BENZIMIDAZOLONE COMPOUNDS AS 5-HYDROXYTRYPTAMINE-6 LIGANDS Wyeth (US) 2006-05-10 EP claimed
WO-2005009996-A1 SULFONYLDIHYDRO- BENZIMIDAZOLONE COMPOUNDS AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2005-02-03 WO claimed
US-20050020575-A1 Sulfonyldihydrobenzimidazolone compounds as 5-hydroxytryptamine-6 ligands WYETH (US) 2005-01-27 US claimed
US-7544701-B2 Sulfonyldihydrobenzimidazolone compounds as 5-hydroxytryptamine-6 ligands WYETH (US) 2009-06-09 US disclosed
US-7544701-B2 Sulfonyldihydrobenzimidazolone compounds as 5-hydroxytryptamine-6 ligands WYETH (US) 2009-06-09 US disclosed
US-7544701-B2 Sulfonyldihydrobenzimidazolone compounds as 5-hydroxytryptamine-6 ligands WYETH (US) 2009-06-09 US disclosed
EP-1654258-A1 SULFONYLDIHYDRO- BENZIMIDAZOLONE COMPOUNDS AS 5-HYDROXYTRYPTAMINE-6 LIGANDS Wyeth (US) 2006-05-10 EP disclosed
WO-2005009996-A1 SULFONYLDIHYDRO- BENZIMIDAZOLONE COMPOUNDS AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2005-02-03 WO 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 1/4885CYP2C9 1346/4885CYP2C19 469/4885

“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.