SCHEMBL6581379

SCHEMBL6581379

O=[N+]([O-])c1cccc2c(S(=O)(=O)c3ccccc3)coc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.60
HTR6 P50406 1/20 0.52
KIF18A Q8NI77 1/20 0.49
MEN1 O00255 3/20 0.47
RAB9A P51151 2/20 0.47
TDP1 Q9NUW8 2/20 0.43
ALDH1A1 P00352 2/20 0.42
NPY1R P25929 1/20 0.41
ABCC9 O60706 1/20 0.40
ABCC8 Q09428 1/20 0.40
KCNJ11 Q14654 1/20 0.40
KCNJ8 Q15842 1/20 0.40
GPR35 Q9HC97 1/20 0.40
MAOA P21397 1/20 0.40
VCAM1 P19320 1/20 0.40
S1PR4 O95977 1/20 0.39
MAPT P10636 1/20 0.39
S1PR1 P21453 1/20 0.39
MAPK1 P28482 1/20 0.39
GFER P55789 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
SCHEMBL6581951 0.78 HTR6 (0.55) HTR6ALDH1A1NPY1R
SCHEMBL2041279 0.76 KMT2A (1.00) KMT2AHTR6KIF18AMEN1RAB9A
SCHEMBL27898109 0.76 KMT2A (0.73) KMT2AHTR6KIF18AMEN1RAB9A
SCHEMBL2230607 0.74 KMT2A (0.75) KMT2AHTR6KIF18AMEN1RAB9A
SCHEMBL8208093 0.73 KMT2A (0.93) KMT2AHTR6KIF18AMEN1RAB9A
SCHEMBL27898110 0.73 KMT2A (0.73) KMT2AHTR6KIF18AMEN1RAB9A
SCHEMBL7251833 0.72 TDP1 (0.52) KMT2AMEN1TDP1ALDH1A1GPR35
SCHEMBL3274689 0.72 TDP1 (0.52) KMT2AMEN1TDP1ALDH1A1GPR35
SCHEMBL2900573 0.70 KMT2A (0.67) KMT2AHTR6KIF18AMEN1RAB9A
SCHEMBL28539407 0.69 KMT2A (0.77) KMT2AKIF18AMEN1RAB9ATDP1

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 KMT2A 2296/4885HTR6 1/4885KIF18A 2338/4885

“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.