SCHEMBL457635

SCHEMBL457635

O=C(O)CCCO[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.44
BLM P54132 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
HBB P68871 1/20 0.44
HIF1A Q16665 1/20 0.44
SLC22A6 Q4U2R8 1/20 0.43
TSHR P16473 3/20 0.42
NFKB1 P19838 1/20 0.42
PMP22 Q01453 1/20 0.42
ESR2 Q92731 2/20 0.41
ALDH1A1 P00352 1/20 0.40
CAMK2A Q9UQM7 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA9 Q16790 1/20 0.38
GABRR3 A8MPY1 1/20 0.37
GABRP O00591 1/20 0.37

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
Methane SCHEMBL2013629 0.98 LMNA (0.43) LMNABLMKMT2AMEN1HBB
Ethane SCHEMBL2012141 0.96 ESR2 (0.42) LMNABLMKMT2AMEN1HBB
SCHEMBL399991 0.93 ALDH1A1 (0.48) LMNABLMKMT2AMEN1HBB
SCHEMBL2011462 0.91 ALDH1A1 (0.52) LMNABLMKMT2AMEN1HBB
Methane SCHEMBL2010264 0.91 ALDH1A1 (0.47) LMNABLMKMT2AMEN1HBB
SCHEMBL398562 0.91 ALDH1A1 (0.52) LMNABLMKMT2AMEN1HBB
SCHEMBL14894607 0.91 ALDH1A1 (0.52) LMNABLMKMT2AMEN1HBB
SCHEMBL2010277 0.91 ALDH1A1 (0.52) LMNABLMKMT2AMEN1HBB
SCHEMBL2011072 0.91 ALDH1A1 (0.52) LMNABLMKMT2AMEN1HBB
SCHEMBL2011728 0.91 ALDH1A1 (0.52) LMNABLMKMT2AMEN1HBB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3618819-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF Exciva GmbH (DE) 2020-03-11 EP claimed
US-20200069674-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF Exciva GmbH (DE) 2020-03-05 US claimed
CN-110831584-A Targeted drug rescue with novel compositions, combinations and methods thereof 埃克塞瓦有限责任公司 2020-02-21 CN claimed
EP-3220905-B1 COMBINATIONS OF PROSTAGLANDINS AND NITRIC OXIDE DONORS NICOX SA (FR) 2019-10-09 EP claimed
WO-2018204713-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF EXCIVA UG (HAFTUNGSBESCHRÄNKT) (DE) 2018-11-08 WO claimed
EP-3041365-B1 USE OF A FEED COMPOSITION FOR REDUCING METHANE EMISSION IN RU-MINANTS, AND/OR TO IMPROVE RUMINANT PERFORMANCE DSM IP ASSETS BV (NL) 2018-04-04 EP claimed
EP-2509435-B1 NITROOXY ALKANOIC ACIDS AND DERIVATIVES THEREOF IN FEED FOR REDUCING METHANE EMISSION IN RUMINANTS, AND/OR TO IMPROVE RUMINANT PERFORMANCE DSM IP ASSETS BV (NL) 2014-02-26 EP claimed
EP-2229161-A2 COMPOSITION COMPRISING A NITROOXYDERIVATIVE OF ACETAMINOPHEN AND A ANTICONVULSANT DRUG FOR THE TREATMENT OF NEUROPATHIC PAIN Nicox S.A. (FR) 2010-09-22 EP claimed
WO-2009087005-A2 COMPOSITION COMPRISING A NITROOXYDERIVATIVE OF ACETAMINOPHEN AND A ANTICONVULSANT DRUG FOR THE TREATMENT OF NEUROPATHIC PAIN NICOX S.A. (FR) 2009-07-16 WO claimed
US-7166605-B2 Probucol nitro-derivatives NICOX, S.A. (FR) 2007-01-23 US claimed
US-20060167003-A1 Probucol derivatives NICOX S.A. (FR) 2006-07-27 US claimed
EP-1521740-A2 PROBUCOL DERIVATIVES Nicox S.A. (FR) 2005-04-13 EP claimed
WO-2003080568-A2 PROBUCOL DERIVATIVES NICOX S.A. (FR) 2003-10-02 WO claimed
US-20260028324-A1 NITRIC OXIDE RELEASING PRODRUGS OF MDA AND MDMA EMPATHBIO INC (US) 2026-01-29 US disclosed
US-12454516-B2 Nitric oxide releasing prodrugs of MDA and MDMA EMPATHBIO, INC. (US) 2025-10-28 US disclosed
CN-115959996-B NO donor compound, pharmaceutical composition and application thereof 上海众强药业有限公司 2025-02-18 CN disclosed
EP-0541634-A1 1,4-DIHYDROPYRIDINE DERIVATIVES CEDONA PHARMACEUTICALS B.V. (NL) 1993-05-19 EP disclosed
WO-1992002503-A1 NOVEL 1,4-DIHYDROPYRIDINE DERIVATIVES CEDONA PHARMACEUTICALS BV (NL) 1992-02-20 WO disclosed
US-5037849-A For treatment of heart and circulatory diseases BOEHRINGER MANNHEIM GMBH (DE) 1991-08-06 US disclosed
US-4801596-A Nitroxy amino propanols for treating heart and circulatory diseases BOEHRINGER MANNHEIM GMBH (DE) 1989-01-31 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 (4 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-20200069674-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF HTR2A, HTR2C, CYP3A43 LMNA 1421/4885BLM 1267/4885KMT2A 1669/4885
US-20060167003-A1 Probucol derivatives PNLIP, APOB, LIPC LMNA 210/4885BLM 865/4885KMT2A 4806/4885
US-20260028324-A1 NITRIC OXIDE RELEASING PRODRUGS OF MDA AND MDMA DBH, SLC6A3, SLC6A2 LMNA 1614/4885BLM 2351/4885KMT2A 3918/4885
US-12454516-B2 Nitric oxide releasing prodrugs of MDA and MDMA NOS1, NOS3, NOS2 LMNA 4013/4885BLM 2212/4885KMT2A 2419/4885

“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.