SCHEMBL1379933

SCHEMBL1379933

CN1CCN(c2nc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)cc3ccccc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.47
HTR6 P50406 8/20 0.46
HTR2A P28223 5/20 0.46
HTR7 P34969 5/20 0.46
DRD2 P14416 3/20 0.46
HTR1A P08908 1/20 0.45
HTR2C P28335 1/20 0.45
DRD3 P35462 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
RAD52 P43351 1/20 0.43
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
HTR3A P46098 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
MAPK1 P28482 1/20 0.42
LMNA P02545 1/20 0.42
PKM P14618 1/20 0.42

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
SCHEMBL1381190 0.87 HTR3A (0.51) HTR6HTR2AHTR7HTR1AHTR2C
SCHEMBL3622756 0.87 KMT2A (0.44) HTR6HTR2AHTR7HTR1AHTR2C
SCHEMBL1380690 0.86 GBA1 (0.51) HTR6HTR2AHTR7HTR1AHTR2C
Hydrochloric Acid SCHEMBL1376785 0.86 KMT2A (0.44) HTR6HTR2AHTR7HTR1AHTR2C
Hydrochloric Acid SCHEMBL3622361 0.86 KMT2A (0.44) HTR6HTR2AHTR7HTR1AHTR2C
SCHEMBL1379060 0.85 HTR6 (0.47) HTR6HTR2AHTR7DRD2HTR1A
SCHEMBL3615298 0.84 MEN1 (0.52) HTR6HTR2AHTR7DRD2HTR1A
SCHEMBL1378323 0.82 ALDH1A1 (0.49) HTR6HTR2AHTR7HTR1AHTR2C
SCHEMBL1380811 0.82 SCN9A (0.49) SCN9AHTR6HTR2AHTR7HTR1A
SCHEMBL3626281 0.82 HSD11B1 (0.50) HTR6HTR3EHTR3BHTR3AHTR3D

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 15 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-20070066599-A1 New compounds BIOVITRUM AB, A SWEDEN CORPORATION 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 SCN9A 587/4885HTR6 1659/4885HTR2A 1609/4885
US-20070066598-A1 Compounds SULT2A1, STS, SLC5A2 SCN9A 684/4885HTR6 1213/4885HTR2A 1235/4885
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 SCN9A 1283/4885HTR6 2369/4885HTR2A 1425/4885
US-20070066600-A1 Compounds SULT2A1, STS, SLC5A2 SCN9A 684/4885HTR6 1213/4885HTR2A 1235/4885
US-20100222330-A1 New Compounds SULT2A1, GPR119, STS SCN9A 587/4885HTR6 1659/4885HTR2A 1609/4885

“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.