SCHEMBL401034

SCHEMBL401034

O=C(Cl)CCCCCO[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
TSHR P16473 1/20 0.43
CA1 P00915 5/20 0.39
CA2 P00918 5/20 0.39
CA4 P22748 5/20 0.39
CA12 O43570 4/20 0.39
CA9 Q16790 4/20 0.39
ESR2 Q92731 3/20 0.38
TP53 P04637 1/20 0.37
PTGS2 P35354 1/20 0.36

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
SCHEMBL400376 0.98 ALDH1A1 (0.40) ALDH1A1TSHRCA1CA2CA4
SCHEMBL5039623 0.92 ALDH1A1 (0.39) ALDH1A1TSHRCA1CA2CA4
SCHEMBL22958440 0.90 DGKA (0.41) ALDH1A1TSHRCA1CA2CA4
SCHEMBL6029546 0.85 ALDH1A1 (0.34) ALDH1A1TSHRCA1CA2CA4
SCHEMBL396155 0.82 CA12 (0.41) ALDH1A1CA1CA2CA4CA12
SCHEMBL2010277 0.82 ALDH1A1 (0.52) ALDH1A1TSHR
SCHEMBL2011728 0.82 ALDH1A1 (0.52) ALDH1A1TSHR
SCHEMBL2011462 0.82 ALDH1A1 (0.52) ALDH1A1TSHR
SCHEMBL14894607 0.82 ALDH1A1 (0.52) ALDH1A1TSHR
SCHEMBL398562 0.82 ALDH1A1 (0.52) ALDH1A1TSHR

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 81 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4288413-B1 PROCESS FOR THE PREPARATION OF A NITRIC OXIDE DONATING PROSTAGLANDIN ANALOGUE NICOX SA (FR) 2025-01-22 EP claimed
US-20240158345-A1 PROCESS FOR THE PREPARATION OF A NITRIC OXIDE DONATING PROSTAGLANDIN ANALOGUE NICOX SA (FR) 2024-05-16 US claimed
EP-4288413-A1 PROCESS FOR THE PREPARATION OF A NITRIC OXIDE DONATING PROSTAGLANDIN ANALOGUE Nicox S.A. (FR) 2023-12-13 EP claimed
EP-3772511-B1 PROCESS FOR THE PREPARATION OF A NITRIC OXIDE DONATING PROSTAGLANDIN ANALOGUE NICOX SA (FR) 2023-11-08 EP claimed
CN-111757868-B Nitric oxide donating prostaglandin analogs 尼科斯股份有限公司 2023-03-14 CN claimed
US-20220274924-A1 PROCESS FOR THE PREPARATION OF A NITRIC OXIDE DONATING PROSTAGLANDIN ANALOGUE NICOX S.A. (FR) 2022-09-01 US claimed
WO-2022167070-A1 PROCESS FOR THE PREPARATION OF A NITRIC OXIDE DONATING PROSTAGLANDIN ANALOGUE NICOX S.A. (FR) 2022-08-11 WO claimed
CN-114174261-A Method for preparing nitric oxide donor type prostaglandin analogue 尼科斯股份有限公司 2022-03-11 CN claimed
US-10988438-B2 Process for the preparation of a nitric oxide donating prostaglandin analogue NICOX S.A. (FR) 2021-04-27 US claimed
US-20210040032-A1 PROCESS FOR THE PREPARATION OF A NITRIC OXIDE DONATING PROSTAGLANDIN ANALOGUE NICOX S.A. (FR) 2021-02-11 US claimed
WO-2021023693-A1 PROCESS FOR THE PREPARATION OF A NITRIC OXIDE DONATING PROSTAGLANDIN ANALOGUE NICOX S.A. (FR) 2021-02-11 WO claimed
EP-3772511-A1 PROCESS FOR THE PREPARATION OF A NITRIC OXIDE DONATING PROSTAGLANDIN ANALOGUE Nicox S.A. (FR) 2021-02-10 EP claimed
CN-111757868-A Nitric oxide donating prostaglandin analogs 尼科斯股份有限公司 2020-10-09 CN claimed
EP-3530649-B1 PROCESS FOR THE PREPARATION OF A NITRIC OXIDE DONATING PROSTAGLANDIN ANALOGUE NICOX SA (FR) 2020-09-30 EP claimed
WO-2019162149-A1 PROCESS FOR THE PREPARATION OF A NITRIC OXIDE DONATING PROSTAGLANDIN ANALOGUE NICOX S.A. (FR) 2019-08-29 WO claimed
EP-3530649-A1 PROCESS FOR THE PREPARATION OF A NITRIC OXIDE DONATING PROSTAGLANDIN ANALOGUE Nicox S.A. (FR) 2019-08-28 EP claimed
US-20250320182-A1 INDUSTRIAL PROCESS FOR THE PREPARATION OF HEXANOIC ACID, 6-(NITROOXY)-, (1S,2E)-3-[(1R,2R,3S,5R)-2-[(2Z)-7-(ETHYLAMINO)-7-OXO-2-HEPTEN-1-YL]-3,5-DIHYDROXYCYCLOPENTYL]-1-(2-PHENYLETHYL)-2-PROPEN-1-YL ESTER AND HIGH PURE PRODUCT NICOX SA (FR) 2025-10-16 US disclosed
EP-4551553-A1 INDUSTRIAL PROCESS FOR THE PREPARATION OF HEXANOIC ACID, 6-(NITROOXY)-, (1S,2E)-3-[(1R,2R,3S,5R)-2-[(2Z)-7-(ETHYLAMINO)-7-OXO-2-HEPTEN-1-YL]-3,5-DIHYDROXYCYCLOPENTYL]-1-(2-PHENYLETHYL)-2-PROPEN-1-YL ESTER AND HIGH PURE PRODUCT Nicox S.A. (FR) 2025-05-14 EP 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-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

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-20250320182-A1 INDUSTRIAL PROCESS FOR THE PREPARATION OF HEXANOIC ACID, 6-(NITROOXY)-, (1S,2E)-3-[(1R,2R,3S,5R)-2-[(2Z)-7-(ETHYLAMINO)-7-OXO-2-HEPTEN-1-YL]-3,5-DIHYDROXYCYCLOPENTYL]-1-(2-PHENYLETHYL)-2-PROPEN-1-YL ESTER AND HIGH PURE PRODUCT CYP2A13, HPD, CYP51A1 ALDH1A1 503/4885TSHR 790/4885CA1 2860/4885
US-20220274924-A1 PROCESS FOR THE PREPARATION OF A NITRIC OXIDE DONATING PROSTAGLANDIN ANALOGUE NOS3, NOS2, NOS1 ALDH1A1 578/4885TSHR 1950/4885CA1 1202/4885
US-10988438-B2 Process for the preparation of a nitric oxide donating prostaglandin analogue NOS3, HPGD, ALOX5 ALDH1A1 681/4885TSHR 2395/4885CA1 712/4885
US-20210040032-A1 PROCESS FOR THE PREPARATION OF A NITRIC OXIDE DONATING PROSTAGLANDIN ANALOGUE NOS3, HPGD, ALOX5 ALDH1A1 681/4885TSHR 2395/4885CA1 712/4885
US-20240158345-A1 PROCESS FOR THE PREPARATION OF A NITRIC OXIDE DONATING PROSTAGLANDIN ANALOGUE NOS3, NOS2, PTGIS ALDH1A1 625/4885TSHR 1530/4885CA1 592/4885

“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.