SCHEMBL6587948

SCHEMBL6587948

O=[N+]([O-])c1cccc2c(S(=O)(=O)n3ccc4ccccc43)c[nH]c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 5/20 0.46
HTR6 P50406 4/20 0.43
HTT P42858 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
PKM P14618 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
DNA2 P51530 1/20 0.41
CASP6 P55212 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
GAA P10253 1/20 0.40
HTR2A P28223 1/20 0.39
CLK1 P49759 2/20 0.39
GSK3B P49841 1/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 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
SCHEMBL6589952 0.81 HTR6 (0.49) HTR6HTTMEN1KMT2AALDH1A1
Ammonia Solution, Strong SCHEMBL6589958 0.75 HTR6 (0.51) HTR6HTTMEN1KMT2AALDH1A1
SCHEMBL5698343 0.75 MET (0.53) METHTR6HTTMEN1KMT2A
SCHEMBL6586530 0.75 HTR6 (0.55) HTR6ALDH1A1LMNAHPGDTSHR
SCHEMBL6587684 0.74 HTR6 (0.62) HTR6HTR2A
SCHEMBL6587236 0.73 PARP1 (0.51) METMEN1KMT2AALDH1A1HPGD
SCHEMBL1395018 0.68 HTR6 (0.69) METHTR6HTTMEN1KMT2A
SCHEMBL30041274 0.68 HTR6 (0.69) METHTR6HTTMEN1KMT2A
SCHEMBL1971506 0.67 MET (0.66) METHTR6HTTMEN1KMT2A
SCHEMBL29687030 0.66 HTR6 (0.61) METHTR6HTTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040242589-A1 3-arylsulfonyl-7-piperzinyl-indoles-benzofurans and -benzothiophenes with 5-ht6 receptor affinity for treating cns disorders SMITHKLINE BEECHAM PLC (GB) 2004-12-02 US disclosed
EP-1414442-A1 3-ARYLSULFONYL-7-PIPERAZINYL- INDOLES, -BENZOFURANS AND -BENZOTHIOPHENES WITH 5-HT6 RECEPTOR AFFINITY FOR TREATING CNS DISORDERS SMITHKLINE BEECHAM PLC (GB) 2004-05-06 EP disclosed
WO-2003013510-A1 3-ARYLSULFONYL-7-PIPERAZINYL- INDOLES, -BENZOFURANS AND -BENZOTHIOPHENES WITH 5-HT6 RECEPTOR AFFINITY FOR TREATING CNS DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2003-02-20 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-20040242589-A1 3-arylsulfonyl-7-piperzinyl-indoles-benzofurans and -benzothiophenes with 5-ht6 receptor affinity for treating cns disorders HTR6, HTR7, HTR1A MET 1195/4885HTR6 1/4885HTT 312/4885

“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.