SCHEMBL1380665

SCHEMBL1380665

O=S(=O)(Nc1ccc(N2CCNCC2)c2ccccc12)c1ccc(Br)cc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 12/20 0.52
HTR7 P34969 1/20 0.50
HTR4 Q13639 1/20 0.50
NMT1 P30419 2/20 0.47
KEAP1 Q14145 2/20 0.47
NFE2L2 Q16236 2/20 0.47
EP300 Q09472 1/20 0.46
HTR1A P08908 1/20 0.46
HTR1D P28221 1/20 0.46
HTR1B P28222 1/20 0.46
HTR2A P28223 1/20 0.46

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
SCHEMBL3616769 0.88 KEAP1 (0.64) HTR6KEAP1NFE2L2EP300
SCHEMBL3623176 0.88 KEAP1 (0.64) HTR6KEAP1NFE2L2HTR1AHTR1D
SCHEMBL3622053 0.88 HKDC1 (0.56) HTR6HTR7KEAP1NFE2L2HTR1A
SCHEMBL3626154 0.88 HTR6 (0.55) HTR6KEAP1NFE2L2HTR1AHTR1D
Hydrochloric Acid SCHEMBL1377991 0.87 HKDC1 (0.55) HTR6HTR7KEAP1NFE2L2HTR1A
Hydrochloric Acid SCHEMBL1379130 0.87 KEAP1 (0.63) HTR6KEAP1NFE2L2HTR1AHTR1D
Hydrochloric Acid SCHEMBL1376917 0.87 HTR6 (0.54) HTR6KEAP1NFE2L2HTR1AHTR1D
SCHEMBL1377079 0.85 KEAP1 (0.67) HTR6KEAP1NFE2L2
SCHEMBL3614923 0.85 HTR6 (0.51) HTR6KEAP1NFE2L2HTR1AHTR1D
SCHEMBL1378322 0.85 HTR6 (0.54) HTR6KEAP1NFE2L2HTR1AHTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4731114-B2 2011-07-20 JP claimed
US-20100222330-A1 New Compounds BIOVITRUM AB (SE) 2010-09-02 US claimed
US-7572787-B2 Substituted naphthalene sulfonamides BIOVITRUM AB (SE) 2009-08-11 US claimed
US-20070066600-A1 Compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2007-03-22 US claimed
EP-1412325-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS, PROCESS FOR THEIR USE AS MEDICAMENT FOR THE TREATMENT OF CNS DISORDERS, OBESITY AND TYPE II DIABETES BIOVITRUM AB (SE) 2004-04-28 EP claimed
US-20030158202-A1 Substituted fused ring sulfonamides containing, e.g., naphthalene, isoquinoline, quinoline, benzofuran or benzothiophene rings; treatment of conditions relating to obesity, type II diabetes and CNS disorders PROXIMAGEN NEUROSCIENCE PLC (GB) 2003-08-21 US claimed
WO-2002100822-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS, PROCESS FOR THEIR USE AS MEDICAMENT FOR THE TREATMENT OF CNS DISORDERS, OBESITY AND TYPE II DIABETES BIOVITRUM AB (SE) 2002-12-19 WO claimed
US-20100222330-A1 New Compounds BIOVITRUM AB (SE) 2010-09-02 US disclosed
US-7572787-B2 Substituted naphthalene sulfonamides BIOVITRUM AB (SE) 2009-08-11 US disclosed
US-20070066598-A1 Compounds BIOVITRUM AB, A SWEDEN CORPORATION 2007-03-22 US disclosed
US-20070066599-A1 New compounds BIOVITRUM AB, A SWEDEN CORPORATION 2007-03-22 US disclosed
US-20070066600-A1 Compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2007-03-22 US disclosed
US-7144883-B2 Bicyclic sulfonamide compounds BIOVITRUM AB (SE) 2006-12-05 US disclosed
EP-1412325-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS, PROCESS FOR THEIR USE AS MEDICAMENT FOR THE TREATMENT OF CNS DISORDERS, OBESITY AND TYPE II DIABETES BIOVITRUM AB (SE) 2004-04-28 EP disclosed
US-20030158202-A1 Substituted fused ring sulfonamides containing, e.g., naphthalene, isoquinoline, quinoline, benzofuran or benzothiophene rings; treatment of conditions relating to obesity, type II diabetes and CNS disorders PROXIMAGEN NEUROSCIENCE PLC (GB) 2003-08-21 US disclosed
WO-2002100822-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS, PROCESS FOR THEIR USE AS MEDICAMENT FOR THE TREATMENT OF CNS DISORDERS, OBESITY AND TYPE II DIABETES BIOVITRUM AB (SE) 2002-12-19 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 (5 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-20070066599-A1 New compounds SULT2A1, GPR119, STS HTR6 1659/4885HTR7 2397/4885HTR4 2675/4885
US-20070066598-A1 Compounds SULT2A1, STS, SLC5A2 HTR6 1213/4885HTR7 1973/4885HTR4 2450/4885
US-20030158202-A1 Substituted fused ring sulfonamides containing, e.g., naphthalene, isoquinoline, quinoline, benzofuran or benzothiophene rings; treatment of conditions relating to obesity, type II diabetes and CNS disorders SULT2A1, SULT1A1, SULT1E1 HTR6 2369/4885HTR7 1522/4885HTR4 2007/4885
US-20070066600-A1 Compounds SULT2A1, STS, SLC5A2 HTR6 1213/4885HTR7 1973/4885HTR4 2450/4885
US-20100222330-A1 New Compounds SULT2A1, GPR119, STS HTR6 1659/4885HTR7 2397/4885HTR4 2675/4885

“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.