SCHEMBL5237374

SCHEMBL5237374

NCCc1cn(S(=O)(=O)c2cccc3cccnc23)c2sccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPK1 P28482 2/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TSHR P16473 2/20 0.40
HTR2C P28335 2/20 0.39
HTR2A P28223 1/20 0.39
GFER P55789 1/20 0.39
ALDH1A1 P00352 4/20 0.39
GAA P10253 2/20 0.39
KDM4E B2RXH2 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39

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
SCHEMBL5239526 0.87 HTR6 (0.61) HTR6HSD17B10MAPTMEN1KMT2A
SCHEMBL5239578 0.84 HTR6 (0.60) HTR6HTR2CHTR2ACYP3A4CYP2A6
SCHEMBL5236579 0.79 HTR6 (0.52) HTR6HTR2CCYP3A4CYP2A6HTR7
SCHEMBL5237008 0.78 HTR6 (0.47) HTR6TSHRHTR2CHTR2ACYP3A4
SCHEMBL5236566 0.78 HTR6 (0.51) HTR6HTR2CHTR2ACYP3A4CYP2A6
SCHEMBL5239647 0.77 HTR6 (0.47) HTR6HTR2CHTR2ACYP3A4CYP2A6
SCHEMBL5619998 0.77 HTR6 (0.33) HTR6HSD17B10MAPK1MAPTSMN1; SMN2
SCHEMBL5238961 0.75 HTR6 (0.48) HTR6MEN1KMT2AHTR2CCYP3A4
SCHEMBL5238805 0.75 HTR6 (0.72) HTR6HTR7
SCHEMBL5238837 0.74 HTR6 (0.59) HTR6TSHRHTR2CCYP3A4CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1648904-B1 N-SULFONYLHETEROCYCLOPYRROLYLALKYLAMINE COMPOUNDS AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH CORP (US) 2007-08-22 EP claimed
US-7220756-B2 N-sulfonylheterocyclopyrrolyl-alkylamine compounds as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-05-22 US claimed
US-20060160878-A1 N-sulfonylheterocyclopyrrolyl-alkylamine compounds as 5-hydroxytryptamine-6 ligands WYETH (US) 2006-07-20 US claimed
US-20050038088-A1 N-sulfonylheterocyclopyrrolyl-alkylamine compounds as 5-hydroxytryptamine-6 ligands WYETH (US) 2005-02-17 US claimed
EP-1648904-B1 N-SULFONYLHETEROCYCLOPYRROLYLALKYLAMINE COMPOUNDS AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH CORP (US) 2007-08-22 EP disclosed
US-7220756-B2 N-sulfonylheterocyclopyrrolyl-alkylamine compounds as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-05-22 US disclosed
US-20060160878-A1 N-sulfonylheterocyclopyrrolyl-alkylamine compounds as 5-hydroxytryptamine-6 ligands WYETH (US) 2006-07-20 US disclosed
US-7041695-B2 N-sulfonylheterocyclopyrrolyl-alkylamine compounds as 5-hydroxytryptamine-6 ligands WYETH (US) 2006-05-09 US disclosed
EP-1648904-A1 N-SULFONYLHETEROCYCLOPYRROLYLALKYLAMINE COMPOUNDS AS 5-HYDROXYTRYPTAMINE-6 LIGANDS Wyeth (US) 2006-04-26 EP disclosed
US-20050038088-A1 N-sulfonylheterocyclopyrrolyl-alkylamine compounds as 5-hydroxytryptamine-6 ligands WYETH (US) 2005-02-17 US disclosed
WO-2005012311-A1 N-SULFONYLHETEROCYCLOPYRROLYLALKYLAMINE COMPOUNDS AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2005-02-10 WO 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 (2 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-20050038088-A1 N-sulfonylheterocyclopyrrolyl-alkylamine compounds as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR1A HTR6 1/4885HSD17B10 2903/4885MAPK1 2556/4885
US-20060160878-A1 N-sulfonylheterocyclopyrrolyl-alkylamine compounds as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR1A HTR6 1/4885HSD17B10 2903/4885MAPK1 2556/4885

“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.