SCHEMBL4425141

SCHEMBL4425141

O=c1n(C2CCNCC2)c2ccccc2n1S(=O)(=O)c1cc(Cl)sc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.42
EPHX2 P34913 1/20 0.36
HTR6 P50406 11/20 0.35
MAPT P10636 2/20 0.32
SPR P35270 1/20 0.32
POLB P06746 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
S100A9 P06702 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
USP2 O75604 1/20 0.31
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
CCNA2 P20248 1/20 0.31
CCND1 P24385 1/20 0.31
CDK2 P24941 1/20 0.31
CDK7 P50613 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
SCHEMBL4420697 0.83 HTR6 (0.32) HTR6MAPTPOLBCYP3A4CYP2C9
SCHEMBL4416818 0.83 HTR6 (0.39) EPHX2HTR6MAPTSPRPOLB
SCHEMBL4432222 0.82 HTR6 (0.45) HTR6MAPTPOLBCYP3A4CYP2C9
SCHEMBL4423058 0.81 POLB (0.36) HTR6MAPTPOLBCYP3A4CYP2C9
SCHEMBL4421490 0.80 ALDH1A1 (0.39) HTR6MAPTPOLBCYP3A4CYP2C9
SCHEMBL4432215 0.76 MAPT (0.41) HTR6MAPTPOLBCYP3A4CYP2C9
SCHEMBL4424954 0.76 HTR6 (0.42) HTR6MAPTPOLBCYP3A4CYP2C9
SCHEMBL4430905 0.75 MET (0.40) HTR6CYP3A4CYP2C19
SCHEMBL13006378 0.75 HTR6 (0.40) HTR6
SCHEMBL4427807 0.74 HTR6 (0.53) HTR6CYP3A4CYP2C19

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 8 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 claimed
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
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 PKM 1473/4885EPHX2 1817/4885HTR6 1/4885

“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.