SCHEMBL3864274

SCHEMBL3864274

CN(CC1Nc2cc(Cl)c(S(N)(=O)=O)cc2S(O)(O)N1)C(=O)CBr

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.51
▸ LMNA P02545 4/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ CYP2C9 P11712 2/20 0.45
▸ ADRA2B P18089 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ CYP3A4 P08684 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ CHRM1 P11229 2/20 0.42
▸ ADRA1A P35348 1/20 0.42
▸ CA7 P43166 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA4 P22748 1/20 0.42
▸ CA6 P23280 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
SCHEMBL3864284 0.90 TDP1 (0.65) TDP1LMNAALDH1A1CYP2C9ADRA2B
SCHEMBL14140812 0.76 TDP1 (0.54) TDP1LMNAALDH1A1CYP2C9ADRA2B
SCHEMBL13685955 0.75 TDP1 (0.52) TDP1LMNAALDH1A1CYP2C9ADRA2B
SCHEMBL11038368 0.72 TDP1 (0.77) TDP1LMNAALDH1A1CYP2C9ADRA2B
SCHEMBL13685946 0.69 TDP1 (0.64) TDP1LMNAALDH1A1CYP2C9ADRA2B
Ethiazide SCHEMBL30561875 0.68 TDP1 (1.00) TDP1LMNAALDH1A1CYP2C9ADRA2B
Ethiazide SCHEMBL122238 0.68 TDP1 (1.00) TDP1LMNAALDH1A1CYP2C9ADRA2B
SCHEMBL3867674 0.68 TDP1 (0.52) TDP1LMNAALDH1A1CYP2C9ADRA2B
SCHEMBL7366786 0.68 TDP1 (0.72) TDP1LMNAALDH1A1CYP2C9ADRA2B
SCHEMBL9810161 0.67 TDP1 (0.71) TDP1LMNAALDH1A1CYP2C9ADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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 TDP1 2638/4885LMNA 1682/4885ALDH1A1 389/4885
US-20080255101-A1 NITRIC OXIDE DONATING DIURETIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE NOS1, NOS3, NOS2 TDP1 2841/4885LMNA 1174/4885ALDH1A1 954/4885

“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.

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