SCHEMBL309863

SCHEMBL309863

COc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.61
PTGS1 P23219 1/20 0.55
PTGS2 P35354 1/20 0.55
CYP19A1 P11511 1/20 0.54
ALOX5 P09917 1/20 0.51
HTT P42858 5/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
MAPT P10636 3/20 0.51
MAPK1 P28482 3/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TSHR P16473 2/20 0.50
NFE2L2 Q16236 1/20 0.46
APP P05067 1/20 0.46
KDM4E B2RXH2 1/20 0.46
G6PD P11413 1/20 0.46
PKM P14618 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46

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
SCHEMBL8008016 0.95 PTGS1 (0.59) LMNAPTGS1PTGS2CYP19A1ALOX5
SCHEMBL10165092 0.87 TSHR (0.65) LMNAPTGS1PTGS2CYP19A1ALOX5
SCHEMBL11288666 0.87 MAPT (0.57) LMNAPTGS1PTGS2CYP19A1ALOX5
SCHEMBL1689643 0.86 LMNA (0.49) LMNAPTGS1PTGS2CYP19A1ALOX5
SCHEMBL2842859 0.86 LMNA (0.49) LMNAPTGS1PTGS2CYP19A1ALOX5
SCHEMBL16954027 0.86 LMNA (0.49) LMNAPTGS1PTGS2CYP19A1ALOX5
SCHEMBL4824913 0.86 LMNA (0.49) LMNAPTGS1PTGS2CYP19A1ALOX5
SCHEMBL189811 0.86 MAPT (0.56) LMNAPTGS1PTGS2HTTMEN1
SCHEMBL4971995 0.86 MEN1 (0.49) LMNAPTGS1PTGS2ALOX5HTT
SCHEMBL282545 0.86 LMNA (0.49) LMNAPTGS1PTGS2CYP19A1ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4473713-A Hydrolysis of aryl-aliphatic ethers RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1984-09-25 US claimed
US-20230255995-A1 Nicotinyl Riboside Compounds and Their Uses MITOPOWER LLC 2023-08-17 US disclosed
EP-3986420-A1 NICOTINYL RIBOSIDE COMPOUNDS AND THEIR USES Mitopower LLC (US) 2022-04-27 EP disclosed
WO-2020257283-A1 NICOTINYL RIBOSIDE COMPOUNDS AND THEIR USES MITOPOWER LLC (US) 2020-12-24 WO disclosed
US-20200397807-A1 NICOTINYL RIBOSIDE COMPOUNDS AND THEIR USES MITOPOWER LLC 2020-12-24 US disclosed
US-20170252347-A1 DNP and DNP Prodrug Treatment of Neuromuscular, Neurodegenerative, Autoimmune, Developmental, Traumatic Brain Injury, Concussion, Dry Eye Disease, Hearing Loss and/or Metabolic Diseases MITOCHON PHARMACEUTICALS, INC. 2017-09-07 US disclosed
CN-105295958-A Liquid crystal aligning agent, liquid crystal alignment film and liquid crystal display element CHI MEI CORP 2016-02-03 CN disclosed
CN-105273724-A Liquid crystal aligning agent, liquid crystal alignment film and liquid crystal display element CHI MEI CORP 2016-01-27 CN disclosed
CN-103889944-A Photoalignment material ROLIC AG 2014-06-25 CN disclosed
CN-103702970-A photoalignment material ROLIC AG 2014-04-02 CN disclosed
WO-1996009285-A1 IODINATED X-RAY-CONTRAST MEDIA NYCOMED IMAGING AS (NO) 1996-03-28 WO disclosed
US-5500060-A IMPROVED SAFETY RELATED TO UNWANTED IGNITION, NITRAMINE COMPOUNDS, AROMATIC NITRO COMPOUNDS ROYAL ORDNANCE PLC (GB) 1996-03-19 US disclosed
US-5037640-A Protective coating against ultraviolet radiation CLAIROL INCORPORATED (US) 1991-08-06 US disclosed
US-4473713-A Hydrolysis of aryl-aliphatic ethers RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1984-09-25 US disclosed
US-4281151-A ANTIALLERGENS, ANTIANAPHYLACTIC AGENTS THE UPJOHN COMPANY (US) 1981-07-28 US disclosed
US-4186127-A ANTIALLERGENS THE UPJOHN COMPANY (US) 1980-01-29 US disclosed
US-4095028-A PROPHYLAXIS, ALLERGIES THE UPJOHN COMPANY (US) 1978-06-13 US disclosed
US-4089973-A Cyano phenylene dioxamic acid compounds used in the treatment of allergy THE UPJOHN COMPANY (US) 1978-05-16 US disclosed
US-3993679-A ANTIALLERGY THE UPJOHN COMPANY (US) 1976-11-23 US disclosed
US-3969413-A Hydroformylation process using catalyst comprising cobalt and polynitroaryl compounds UNIVERSAL OIL PRODUCTS COMPANY (US) 1976-07-13 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 (3 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-20200397807-A1 NICOTINYL RIBOSIDE COMPOUNDS AND THEIR USES NADK, NNT, NAMPT LMNA 800/4885PTGS1 2133/4885PTGS2 2019/4885
US-20230255995-A1 Nicotinyl Riboside Compounds and Their Uses NADK, NNT, NAMPT LMNA 800/4885PTGS1 2133/4885PTGS2 2019/4885
US-20170252347-A1 DNP and DNP Prodrug Treatment of Neuromuscular, Neurodegenerative, Autoimmune, Developmental, Traumatic Brain Injury, Concussion, Dry Eye Disease, Hearing Loss and/or Metabolic Diseases SMN1; SMN2, MYLK2, WFS1 LMNA 297/4885PTGS1 589/4885PTGS2 528/4885

“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.