SCHEMBL3614698

SCHEMBL3614698

COc1ccccc1NS(=O)(=O)c1ccc(N2CCNCC2)c([N+](=O)[O-])c1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.66
HTR6 P50406 11/20 0.62
LMNA P02545 6/20 0.56
MAPT P10636 5/20 0.56
TDP1 Q9NUW8 4/20 0.56
HTT P42858 2/20 0.56
SMN1; SMN2 Q16637 5/20 0.55
L3MBTL1 Q9Y468 4/20 0.55
MAPK1 P28482 3/20 0.55
PKM P14618 1/20 0.55
MEN1 O00255 1/20 0.53
TP53 P04637 1/20 0.53
KMT2A Q03164 1/20 0.53
HTR7 P34969 2/20 0.53
HTR4 Q13639 1/20 0.53
GAA P10253 1/20 0.53
HTR1A P08908 1/20 0.52
HTR2C P28335 1/20 0.52
HTR2B P41595 1/20 0.52

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
SCHEMBL3606675 0.89 LMNA (0.70) ALDH1A1HTR6LMNAMAPTTDP1
SCHEMBL3610254 0.88 ALDH1A1 (0.60) ALDH1A1HTR6LMNAMAPTTDP1
SCHEMBL3618100 0.85 HTR6 (0.65) ALDH1A1HTR6MAPTL3MBTL1MEN1
Hydrochloric Acid SCHEMBL3621246 0.84 HTR6 (0.64) ALDH1A1HTR6MAPTL3MBTL1MEN1
SCHEMBL3621022 0.84 MAPT (0.55) ALDH1A1HTR6LMNAMAPTTDP1
SCHEMBL27557628 0.83 LMNA (0.59) ALDH1A1HTR6LMNAMAPTTDP1
SCHEMBL3619657 0.82 ALDH1A1 (0.60) ALDH1A1LMNAMAPTTDP1HTT
SCHEMBL3620269 0.82 MAPT (0.77) ALDH1A1HTR6LMNAMAPTTDP1
SCHEMBL3614169 0.81 HTR6 (0.61) ALDH1A1HTR6MAPTL3MBTL1MEN1
Hydrochloric Acid SCHEMBL3612415 0.80 HTR6 (0.60) ALDH1A1HTR6MAPTL3MBTL1MEN1

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-20030149020-A1 New compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2003-08-07 US disclosed
US-20030149019-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 ALDH1A1 438/4885HTR6 436/4885LMNA 3478/4885
US-20030149019-A1 New compounds GPR119, SULT2A1, NAT1 ALDH1A1 438/4885HTR6 436/4885LMNA 3478/4885
US-20060009446-A1 New compounds GPR119, SULT2A1, STS ALDH1A1 818/4885HTR6 484/4885LMNA 3475/4885
US-20080096873-A1 NEW COMPOUNDS GPR119, SULT2A1, STS ALDH1A1 818/4885HTR6 484/4885LMNA 3475/4885
US-20050288275-A1 New compounds GPR119, SULT2A1, STS ALDH1A1 818/4885HTR6 484/4885LMNA 3475/4885

“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.