SCHEMBL3958865

SCHEMBL3958865

COc1ccc(C)cc1S(=O)(=O)Nc1cc(OC2CCNCC2)c2occc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 1.00
SMN1; SMN2 Q16637 5/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
LMNA P02545 3/20 0.45
RECQL P46063 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
ALPL P05186 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GAA P10253 1/20 0.42
THRB P10828 2/20 0.42
TP53 P04637 2/20 0.42
CASP1 P29466 1/20 0.42
MAPK1 P28482 1/20 0.41
BRD4 O60885 1/20 0.41

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
SCHEMBL3963801 0.90 HTR6 (0.82) HTR6SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL3960019 0.90 HTR6 (0.81) HTR6SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL13361991 0.88 HTR6 (0.79) HTR6SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL3956245 0.88 HTR6 (0.78) HTR6SMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL3324077 0.86 HTR6 (0.76) HTR6SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL3324083 0.86 HTR6 (0.76) HTR6SMN1; SMN2MEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL1064611 0.86 HTR6 (0.75) HTR6SMN1; SMN2MEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL1064070 0.86 HTR6 (0.75) HTR6SMN1; SMN2MEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL1064074 0.86 HTR6 (0.75) HTR6SMN1; SMN2MEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL1064605 0.86 HTR6 (0.75) HTR6SMN1; SMN2MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582767-B2 Substituted sulphonamide compound and uses thereof BIOVITRUM AB (PUBL.) (SE) 2009-09-01 US disclosed
EP-1896460-B1 BENZOFURANYL DERIVATIVES AS 5-HT6-RECEPTOR INHIBITORS BIOVITRUM AB PUBL (SE) 2009-07-22 EP disclosed
EP-1896460-A1 BENZOFURANYL DERIVATIVES AS 5-HT6-RECEPTOR INHIBITORS Biovitrum AB (publ) (SE) 2008-03-12 EP disclosed
US-20060293361-A1 N-[7-(4-piperidinyl)oxy-1-benzofuran-5-yl]-5-hydroxymethyl-2-methoxybenzenesulfonamide; the prophylaxis and treatment of medical conditions relating to obesity, type II diabetes, CNS disorders, to achieve reduction of body weight and/or body weight gain PROXIMAGEN NEUROSCIENCE PLC (GB) 2006-12-28 US disclosed
WO-2006134150-A1 BENZOFURANYL DERIVATIVES AS 5-HT6-RECEPTOR INHIBITORS BIOVITRUM AB (PUBL) (SE) 2006-12-21 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 (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-20060293361-A1 N-[7-(4-piperidinyl)oxy-1-benzofuran-5-yl]-5-hydroxymethyl-2-methoxybenzenesulfonamide; the prophylaxis and treatment of medical conditions relating to obesity, type II diabetes, CNS disorders, to achieve reduction of body weight and/or body weight gain GPR119, CNR2, SULT1E1 HTR6 598/4885SMN1; SMN2 256/4885MEN1 1861/4885

“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.