SCHEMBL3624079

SCHEMBL3624079

CS(=O)(=O)Nc1cc(N2CCCN(C(=O)O)CC2)ccc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 17/20 0.54
KMT2A Q03164 3/20 0.54
ALDH1A1 P00352 8/20 0.53
CYP1A2 P05177 5/20 0.53
CYP2C9 P11712 5/20 0.53
CYP2C19 P33261 5/20 0.53
HPGD P15428 1/20 0.53
CYP3A4 P08684 3/20 0.52
MEN1 O00255 1/20 0.52
MAPK1 P28482 1/20 0.51
HTT P42858 4/20 0.51
NPSR1 Q6W5P4 2/20 0.51
KDM4E B2RXH2 1/20 0.51
RECQL P46063 1/20 0.50
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
DCTPP1 Q9H773 1/20 0.48
GAA P10253 1/20 0.48

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
SCHEMBL3624076 1.00 MAPT (0.54) MAPTKMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL3620938 0.82 MAPT (0.72) MAPTKMT2AALDH1A1MAPK1
SCHEMBL22095026 0.80 MAPT (0.55) MAPTKMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL3616157 0.79 MAPK1 (0.74) MAPTKMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL3616153 0.79 MAPK1 (0.74) MAPTKMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL3620206 0.78 KEAP1 (0.48) MAPTKMT2AALDH1A1MEN1HTT
SCHEMBL3621735 0.78 MAPT (0.43) MAPTKMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL3621737 0.78 MAPT (0.43) MAPTKMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL3621035 0.77 BCL2 (0.52) MAPTKMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL22095447 0.77 THRB (0.59)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7718650-B2 Aryl sulfonamide compounds for treating obesity BIOVITRUM AB (SE) 2010-05-18 US disclosed
US-7566715-B2 Substituted sulfonamide compounds useful for the prophylaxis and treatment of conditions relating to obesity, type II diabetes and/or disorders of the central nervous system BIOVITRUM AB (SE) 2009-07-28 US disclosed
US-20080096873-A1 NEW COMPOUNDS BIOVITRUM AB, A SWEDEN CORPORATION 2008-04-24 US disclosed
US-7319097-B2 Treatment of type II diabetes with benzenesulfonamide substituted with an N-heterocycle: N-[2-amino-5-(1,4-diazepan-1-yl)phenyl]benzenesulfonamide, N-[4-amino-5-(piperazinyl)phenyl]benzenesulfonamide, 3-amino-4-(5-methyl-2,5-diaza-bicyclo[2.2.1]hept-2-yl)-N-phenyl-benzenesulfonamide hydrochloride BIOVITRUM AB (SE) 2008-01-15 US disclosed
US-7173035-B2 Arylsulfonamide compounds BIOVITRUM AB (SE) 2007-02-06 US disclosed
US-20060009446-A1 New compounds BIOVITRUM AB, A SWEDEN CORPORATION 2006-01-12 US disclosed
US-20050288275-A1 New compounds BIOVITRUM AB, A SWEDEN CORPORATION 2005-12-29 US disclosed
US-6969710-B2 Compounds BIOVITRUM AB (SE) 2005-11-29 US disclosed
EP-1406884-A1 ARYLSUSFONAMIDE COMPOUNDS FOR THE TREATMENT OF OBESITY, TYPE II DIABETES AND CNS-DISORDERS BIOVITRUM AB (SE) 2004-04-14 EP disclosed
US-20030149019-A1 New compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2003-08-07 US disclosed
US-20030149020-A1 New compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2003-08-07 US disclosed
WO-2002092585-A1 NOVEL, ARYLSUSFONAMIDE COMPOUNDS FOR THE TREATMENT OF OBESITY, TYPE II DIABETES AND CNS-DISORDERS BIOVITRUM AB (SE) 2002-11-21 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-20030149020-A1 New compounds GPR119, SULT2A1, NAT1 MAPT 2577/4885KMT2A 2498/4885ALDH1A1 438/4885
US-20030149019-A1 New compounds GPR119, SULT2A1, NAT1 MAPT 2577/4885KMT2A 2498/4885ALDH1A1 438/4885
US-20060009446-A1 New compounds GPR119, SULT2A1, STS MAPT 2697/4885KMT2A 2290/4885ALDH1A1 818/4885
US-20080096873-A1 NEW COMPOUNDS GPR119, SULT2A1, STS MAPT 2697/4885KMT2A 2290/4885ALDH1A1 818/4885
US-20050288275-A1 New compounds GPR119, SULT2A1, STS MAPT 2697/4885KMT2A 2290/4885ALDH1A1 818/4885

“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.