SCHEMBL1662886

SCHEMBL1662886

COc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.65
HTT P42858 1/20 0.65
MAPK1 P28482 3/20 0.60
CYP3A4 P08684 1/20 0.55
TSHR P16473 1/20 0.55
MAPT P10636 4/20 0.51
KDM4E B2RXH2 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
AKR1C3 P42330 3/20 0.50
AKR1C2 P52895 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
POLB P06746 1/20 0.50
MCOLN3 Q8TDD5 1/20 0.50
G6PD P11413 1/20 0.50
PKM P14618 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50

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
SCHEMBL11199415 0.86 ALDH1A1 (0.54) ALDH1A1HTTMAPK1MAPTKDM4E
SCHEMBL10340370 0.86 ALDH1A1 (0.61) ALDH1A1HTTMAPK1MAPTKDM4E
SCHEMBL1663978 0.85 ALDH1A1 (0.54) ALDH1A1HTTMAPK1CYP3A4TSHR
SCHEMBL30686627 0.84 ALDH1A1 (0.58) ALDH1A1HTTMAPK1CYP3A4MAPT
SCHEMBL518810 0.84 ALDH1A1 (0.57) ALDH1A1HTTMAPK1CYP3A4MAPT
SCHEMBL30382526 0.84 ALDH1A1 (0.57) ALDH1A1HTTMAPK1CYP3A4TSHR
SCHEMBL30199709 0.84 ALDH1A1 (0.53) ALDH1A1HTTMAPK1MAPTKDM4E
SCHEMBL4142866 0.84 ALDH1A1 (0.58) ALDH1A1HTTMAPK1CYP3A4MAPT
SCHEMBL1897174 0.84 ALDH1A1 (0.57) ALDH1A1HTTMAPK1CYP3A4TSHR
SCHEMBL29650091 0.84 ALDH1A1 (0.61) ALDH1A1MAPK1CYP3A4TSHRMAPT

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 35 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-9902748-B2 Photoactive energetic materials LOS ALAMOS NATIONAL SECURITY, LLC (US) 2018-02-27 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-9622991-B2 Hematopoietic growth factor mimetic small molecule compounds and their uses LIGAND PHARMACEUTICALS INC. (US) 2017-04-18 US disclosed
CN-102656141-B Micromolecular compound of simulation hemopoieticgrowth factor and uses thereof LIGAND PHARMACEUTICALS INC. (US) 2016-04-06 CN disclosed
US-20160031767-A1 PHOTOACTIVE ENERGETIC MATERIALS TRIAD NATIONAL SECURITY, LLC 2016-02-04 US disclosed
US-20100324266-A1 Photocleavable Protecting Groups AFFYMETRIX, INC. (US) 2010-12-23 US disclosed
US-20100135906-A1 IN VIVO IMAGING OF SULFOTRANSFERASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2010-06-03 US disclosed
US-20100135906-A1 IN VIVO IMAGING OF SULFOTRANSFERASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2010-06-03 US disclosed
EP-2171478-A1 IN VIVO IMAGING OF SULFOTRANSFERASES The Regents Of The University Of California (US) 2010-04-07 EP disclosed
US-20100015092-A1 QUINOXALINYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS NAKAJIMA SUANNE 2010-01-21 US disclosed
WO-2008121407-A1 IN VIVO IMAGING OF SULFOTRANSFERASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-10-09 WO disclosed
WO-2008121407-A1 IN VIVO IMAGING OF SULFOTRANSFERASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-10-09 WO disclosed
US-4520197-A Tetrahydrobenzodiazaphosphorindiones and tetrahydropyridodiazaphosphorindiones ZOECON CORPORATION (US) 1985-05-28 US disclosed
US-4473713-A Hydrolysis of aryl-aliphatic ethers RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1984-09-25 US disclosed
US-4433149-A Esters of ureido-phenyl (or pyridyl) phosphinic acids ZOECON CORPORATION (US) 1984-02-21 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 (7 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-20160031767-A1 PHOTOACTIVE ENERGETIC MATERIALS NOX5, TRPM5, MT-ND5 ALDH1A1 706/4885HTT 1534/4885MAPK1 3055/4885
US-20100015092-A1 QUINOXALINYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS PRSS1, SPINT2, HPN ALDH1A1 1352/4885HTT 4021/4885MAPK1 1848/4885
US-20200397807-A1 NICOTINYL RIBOSIDE COMPOUNDS AND THEIR USES NADK, NNT, NAMPT ALDH1A1 1331/4885HTT 460/4885MAPK1 2051/4885
US-20230255995-A1 Nicotinyl Riboside Compounds and Their Uses NADK, NNT, NAMPT ALDH1A1 1331/4885HTT 460/4885MAPK1 2051/4885
US-20100324266-A1 Photocleavable Protecting Groups POLL, PCNA, ERCC4 ALDH1A1 1340/4885HTT 1552/4885MAPK1 2035/4885
US-20100135906-A1 IN VIVO IMAGING OF SULFOTRANSFERASES SULT1A1, SULT2A1, TPST2 ALDH1A1 232/4885HTT 928/4885MAPK1 3201/4885
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 ALDH1A1 2044/4885HTT 1801/4885MAPK1 3233/4885

“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.