SCHEMBL8977874

SCHEMBL8977874

COc1cc([N+](=O)[O-])ccc1[N+](=O)[O-]

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.68
TDP1 Q9NUW8 4/20 0.61
ALDH1A1 P00352 4/20 0.58
LMNA P02545 3/20 0.55
PKM P14618 1/20 0.55
GPR35 Q9HC97 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
SIRT6 Q8N6T7 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.51
TTR P02766 2/20 0.51
PTGS2 P35354 2/20 0.50
CYP19A1 P11511 1/20 0.50
MAPK1 P28482 2/20 0.49
KMT2A Q03164 1/20 0.49
MAPT P10636 1/20 0.49
TP53 P04637 1/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48

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
SCHEMBL20328418 0.85 TDP1 (0.66) HTTTDP1ALDH1A1LMNAGPR35
SCHEMBL397931 0.85 TDP1 (0.66) HTTTDP1ALDH1A1LMNAGPR35
SCHEMBL20328412 0.85 TDP1 (0.66) HTTTDP1ALDH1A1LMNAGPR35
SCHEMBL29351649 0.85 TDP1 (0.66) HTTTDP1ALDH1A1LMNAGPR35
SCHEMBL527567 0.84 HTT (0.72) HTTTDP1ALDH1A1LMNAPKM
SCHEMBL29441283 0.84 HTT (0.72) HTTTDP1ALDH1A1LMNAPKM
SCHEMBL11224598 0.82 CHEK1 (0.61) TDP1ALDH1A1LMNASIRT6L3MBTL1
SCHEMBL28153531 0.81 TDP1 (0.62) HTTTDP1ALDH1A1LMNAGPR35
SCHEMBL10363811 0.81 TTR (0.67) HTTTDP1ALDH1A1LMNASMN1; SMN2
SCHEMBL57125 0.81 HTT (0.68) HTTTDP1ALDH1A1LMNAPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-85108951-A The novel synthesis of 4-nitro-benzene-beta-methoxy-ether 1986-10-08 CN claimed
US-4473713-A Hydrolysis of aryl-aliphatic ethers RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1984-09-25 US claimed
CN-114042157-B Photosensitive vitreous injectable gel and preparation method and application thereof 江苏省中医药研究院 2023-10-27 CN disclosed
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
CN-114042157-A Photosensitive vitreous injectable gel and preparation method and application thereof 江苏省中医药研究院 2022-02-15 CN 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
US-5500060-A IMPROVED SAFETY RELATED TO UNWANTED IGNITION, NITRAMINE COMPOUNDS, AROMATIC NITRO COMPOUNDS ROYAL ORDNANCE PLC (GB) 1996-03-19 US disclosed
US-4473713-A Hydrolysis of aryl-aliphatic ethers RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1984-09-25 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 HTT 460/4885TDP1 597/4885ALDH1A1 1331/4885
US-20230255995-A1 Nicotinyl Riboside Compounds and Their Uses NADK, NNT, NAMPT HTT 460/4885TDP1 597/4885ALDH1A1 1331/4885
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 HTT 1801/4885TDP1 42/4885ALDH1A1 2044/4885

“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.