SCHEMBL2710652

SCHEMBL2710652

NS(=O)(=O)c1ccc2c(c1)SN=CN2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 11/20 0.41
CA1 P00915 10/20 0.41
CA12 O43570 10/20 0.41
CA9 Q16790 9/20 0.41
MAPT P10636 3/20 0.36
ADRA2A P08913 1/20 0.36
PNMT P11086 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
CA7 P43166 6/20 0.36
CA14 Q9ULX7 6/20 0.36
CA4 P22748 5/20 0.36
CA6 P23280 5/20 0.36
CA5A P35218 5/20 0.36
CA5B Q9Y2D0 5/20 0.36
LMNA P02545 1/20 0.36
MEN1 O00255 2/20 0.35
PKM P14618 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL6237038 0.69 HTT (0.39) CA2CA1CA12CA9MAPT
SCHEMBL4020727 0.68 CA2 (0.49) CA2CA1CA12CA9MAPT
SCHEMBL17824669 0.68 CA2 (0.49) CA2CA1CA12CA9ADRA2A
SCHEMBL17350895 0.67 CA1 (0.57) CA2CA1CA12CA9ADRA2A
SCHEMBL31236090 0.66 CA2 (0.50) CA2CA1CA12CA9MAPT
SCHEMBL611805 0.65 MAPT (0.39) CA2CA1CA12CA9MAPT
SCHEMBL28263278 0.64 MAPT (0.38) CA2CA1CA12CA9MAPT
SCHEMBL3853416 0.62 CA2 (0.39) CA2CA1CA12CA9MAPT
SCHEMBL5288239 0.61 CA1 (0.45) CA2CA1CA12CA9MAPT
SCHEMBL30210907 0.61 CA2 (0.62) CA2CA1CA12CA9MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7396829-B2 such as 2H-1,2,4-benzothiadiazine-7-sulfonamide, 6-chloro-3,4-dihydro-3-[5-(nitrooxy)pentyl]-, 1,1-dioxide; contains at least one nitric oxide enhancing group; excessive water or electrolyte retention conditions; cardiovascular diseases, and diseases resulting from oxidative or endothelial dysfunctions NITROMED, INC. (US) 2008-07-08 US claimed
EP-1855688-A2 NITRIC OXIDE ENHANCING DIURETIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE Nitromed, Inc. (US) 2007-11-21 EP claimed
WO-2006091716-A2 NITRIC OXIDE ENHANCING DIURETIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2006-08-31 WO claimed
US-20060189603-A1 such as 2H-1,2,4-benzothiadiazine-7-sulfonamide, 6-chloro-3,4-dihydro-3-[5-(nitrooxy)pentyl]-, 1,1-dioxide; contains at least one nitric oxide enhancing group; excessive water or electrolyte retention conditions; cardiovascular diseases, and diseases resulting from oxidative or endothelial dysfunctions NITROMED, INC. (US) 2006-08-24 US claimed
WO-2012054438-A1 ANTI-PCSK9 SCHERING CORPORATION (US) 2012-04-26 WO disclosed
US-7595313-B2 Nitric oxide donating diuretic compounds, compositions and methods of use NICOX, S.A. (FR) 2009-09-29 US disclosed
US-20080255101-A1 NITRIC OXIDE DONATING DIURETIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2008-10-16 US disclosed
US-7396829-B2 such as 2H-1,2,4-benzothiadiazine-7-sulfonamide, 6-chloro-3,4-dihydro-3-[5-(nitrooxy)pentyl]-, 1,1-dioxide; contains at least one nitric oxide enhancing group; excessive water or electrolyte retention conditions; cardiovascular diseases, and diseases resulting from oxidative or endothelial dysfunctions NITROMED, INC. (US) 2008-07-08 US disclosed
EP-1855688-A2 NITRIC OXIDE ENHANCING DIURETIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE Nitromed, Inc. (US) 2007-11-21 EP disclosed
WO-2006091716-A2 NITRIC OXIDE ENHANCING DIURETIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2006-08-31 WO disclosed
US-20060189603-A1 such as 2H-1,2,4-benzothiadiazine-7-sulfonamide, 6-chloro-3,4-dihydro-3-[5-(nitrooxy)pentyl]-, 1,1-dioxide; contains at least one nitric oxide enhancing group; excessive water or electrolyte retention conditions; cardiovascular diseases, and diseases resulting from oxidative or endothelial dysfunctions NITROMED, INC. (US) 2006-08-24 US disclosed
EP-1385548-A2 COMBINATIONS OF STEROL ABSORPTION INHIBITOR(S) WITH CARDIOVASCULAR AGENT(S) FOR THE TREATMENT OF VASCULAR CONDITIONS Schering Corporation (US) 2004-02-04 EP disclosed
WO-2002058731-A2 COMBINATIONS OF STEROL ABSORPTION INHIBITOR(S) WITH CARDIOVASCULAR AGENT(S) FOR THE TREATMENT OF VASCULAR CONDITIONS SCHERING CORPORATION (US) 2002-08-01 WO disclosed
WO-2001092283-A2 COBALAMIN COMPOUNDS USEFUL AS CARDIOVASCULAR AGENTS AND AS IMAGING AGENTS MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2001-12-06 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 (2 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-20060189603-A1 such as 2H-1,2,4-benzothiadiazine-7-sulfonamide, 6-chloro-3,4-dihydro-3-[5-(nitrooxy)pentyl]-, 1,1-dioxide; contains at least one nitric oxide enhancing group; excessive water or electrolyte retention conditions; cardiovascular diseases, and diseases resulting from oxidative or endothelial dysfunctions NOS1, NOS3, REN CA2 355/4885CA1 787/4885CA12 1884/4885
US-20080255101-A1 NITRIC OXIDE DONATING DIURETIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE NOS1, NOS3, NOS2 CA2 690/4885CA1 957/4885CA12 2127/4885

“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.