SCHEMBL3619196

SCHEMBL3619196

C[C@@H]1CN(c2ccc([N+](=O)[O-])c3ccccc23)C[C@H](C)N1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AR P10275 7/20 0.61
CTSB P07858 4/20 0.61
HTT P42858 3/20 0.50
KMT2A Q03164 2/20 0.45
GAA P10253 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 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
SCHEMBL3619197 1.00 AR (0.61) ARCTSBHTTKMT2AGAA
SCHEMBL4245020 0.85 AR (0.60) ARCTSBHTTGAAMAPT
SCHEMBL3620476 0.85 AR (0.60) ARCTSBHTTGAAMAPT
SCHEMBL4872032 0.83 AR (0.61) ARCTSBHTTGAAMAPT
SCHEMBL3436151 0.82 HTT (0.55) HTTKMT2AL3MBTL1SIGMAR1MAPT
SCHEMBL3800773 0.82 HTT (0.55) HTTKMT2AL3MBTL1SIGMAR1MAPT
SCHEMBL6711500 0.79 AR (0.56) ARCTSBHTTGAAL3MBTL1
SCHEMBL6711503 0.79 AR (0.56) ARCTSBHTTGAAL3MBTL1
SCHEMBL3622442 0.76 AR (0.49) ARCTSBGAAL3MBTL1MAPT
SCHEMBL3603749 0.76 CTSB (1.00) ARCTSBHTTKMT2AGAA

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 disclosed
US-7572787-B2 Substituted naphthalene sulfonamides BIOVITRUM AB (SE) 2009-08-11 US disclosed
CN-101402601-A Substituted sulfonamide compounds, process for their use as medicament for the treatment of cns disorders, obesity and type ii diabetes BIOVITRUM AB PUBL (SE) 2009-04-08 CN disclosed
CN-100457726-C Substituted sulfonamide compounds, process for their preparation and their use as medicaments for the treatment of CNS disorders, obesity and type II diabetes CAMBRIDGE BIOTECHNOLOGY LTD (SE) 2009-02-04 CN 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
CN-1800185-A Substituted sulfonamide compounds, process for their use as medicament for the treatment of CNS disorders, obesity and type II diabetes. BIOVITRUM AB (SE) 2006-07-12 CN disclosed
CN-1522245-A Substituted sulfonamide compounds, process for their preparation and their use as medicaments for the treatment of CNS disorders, obesity and type II diabetes �Ȱ�ά����ķ�ɷݹ�˾ 2004-08-18 CN 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 AR 2362/4885CTSB 1810/4885HTT 1789/4885
US-20070066598-A1 Compounds SULT2A1, STS, SLC5A2 AR 2238/4885CTSB 1626/4885HTT 1365/4885
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 AR 2960/4885CTSB 3013/4885HTT 816/4885
US-20070066600-A1 Compounds SULT2A1, STS, SLC5A2 AR 2238/4885CTSB 1626/4885HTT 1365/4885
US-20100222330-A1 New Compounds SULT2A1, GPR119, STS AR 2362/4885CTSB 1810/4885HTT 1789/4885

“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.