SCHEMBL3623404

SCHEMBL3623404

Cc1c(Cl)cccc1S(=O)(=O)Nc1ccc(N2CCNCC2)c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.50
HTR6 P50406 8/20 0.49
ALDH1A1 P00352 1/20 0.46
KEAP1 Q14145 3/20 0.44
NFE2L2 Q16236 1/20 0.44
SLC40A1 Q9NP59 1/20 0.43
EDNRB P24530 1/20 0.43
EDNRA P25101 1/20 0.43
ADRB1 P08588 1/20 0.43

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
Hydrochloric Acid SCHEMBL1381422 0.99 BRD4 (0.49) BRD4HTR6ALDH1A1KEAP1NFE2L2
SCHEMBL3618392 0.90 BRD4 (0.55) BRD4HTR6ALDH1A1ADRB1
SCHEMBL1377671 0.89 HTR6 (0.51) BRD4HTR6ALDH1A1ADRB1
Hydrochloric Acid SCHEMBL1381857 0.89 BRD4 (0.54) BRD4HTR6ALDH1A1ADRB1
SCHEMBL3623522 0.85 BRD4 (0.48) BRD4HTR6ALDH1A1KEAP1NFE2L2
SCHEMBL3620788 0.85 BRD4 (0.56) BRD4HTR6KEAP1NFE2L2ADRB1
Hydrochloric Acid SCHEMBL1378409 0.84 BRD4 (0.47) BRD4HTR6ALDH1A1KEAP1NFE2L2
Hydrochloric Acid SCHEMBL1378477 0.84 BRD4 (0.55) BRD4HTR6ALDH1A1KEAP1NFE2L2
SCHEMBL1377720 0.84 HTR6 (0.53) BRD4HTR6ALDH1A1KEAP1NFE2L2
SCHEMBL1376451 0.84 HTR6 (0.49) BRD4HTR6ALDH1A1ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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 BRD4 2761/4885HTR6 1659/4885ALDH1A1 363/4885
US-20070066598-A1 Compounds SULT2A1, STS, SLC5A2 BRD4 2904/4885HTR6 1213/4885ALDH1A1 262/4885
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 BRD4 301/4885HTR6 2369/4885ALDH1A1 401/4885
US-20070066600-A1 Compounds SULT2A1, STS, SLC5A2 BRD4 2904/4885HTR6 1213/4885ALDH1A1 262/4885
US-20100222330-A1 New Compounds SULT2A1, GPR119, STS BRD4 2761/4885HTR6 1659/4885ALDH1A1 363/4885

“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.