SCHEMBL2945894

SCHEMBL2945894

CC([C]=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
MAPK1 P28482 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
TSHR P16473 1/20 0.49
PHLPP2 Q6ZVD8 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
HSD17B10 Q99714 2/20 0.48
ACHE P22303 1/20 0.48
ALDH1A1 P00352 7/20 0.47
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
RECQL P46063 1/20 0.44
GAA P10253 2/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.41
CES1 P23141 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL3293719 0.82 MAPT (0.47) MAPTL3MBTL1MAPK1CYP1A2CYP3A4
SCHEMBL10585660 0.80 TYR (0.35)
SCHEMBL254528 0.79 ALDH1A1 (0.56) MAPTL3MBTL1MAPK1CYP1A2CYP3A4
SCHEMBL12231908 0.78 MAPT (0.47) MAPTL3MBTL1MAPK1CYP1A2CYP3A4
SCHEMBL11695567 0.77 HSD17B10 (0.54) MAPTL3MBTL1MAPK1CYP1A2CYP3A4
SCHEMBL7195325 0.77 HSD17B10 (0.54) MAPTL3MBTL1MAPK1CYP1A2CYP3A4
SCHEMBL11307671 0.76 ALDH1A1 (0.48) MAPTL3MBTL1MAPK1CYP1A2CYP3A4
SCHEMBL1995212 0.76 MAPT (0.53) MAPTL3MBTL1MAPK1CYP1A2CYP3A4
SCHEMBL6196115 0.76 MAPT (0.45) MAPTL3MBTL1MAPK1CYP1A2CYP3A4
SCHEMBL5565752 0.76 MAPT (0.45) MAPTL3MBTL1MAPK1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018229261-A1 COMBINATION MEDICAMENT COMPRISING A PRODRUG AND INHALABLE CATALYST ETH Zürich (CH) 2018-12-20 WO claimed
EP-2567964-B1 Monomer compositions for the synthesis of RNA, methods of synthesis, and methods of deprotection AGILENT TECHNOLOGIES INC (US) 2015-02-11 EP claimed
EP-2567964-A2 Monomer Compositions for the Synthesis of RNA, Methods of Synthesis, and Methods of Deprotection Agilent Technologies, Inc. (US) 2013-03-13 EP claimed
US-7759471-B2 nucleotide monomer used to make protected RNA that has similar stability to the DNA molecule AGILENT TECHNOLOGIES, INC. (US) 2010-07-20 US claimed
EP-2001896-A2 MONOMER COMPOSITIONS FOR THE SYNTHESIS OF RNA, METHODS OF SYNTHESIS, AND METHODS OF DEPROTECTION Agilent Technologies, Inc. (US) 2008-12-17 EP claimed
WO-2007112263-A2 MONOMER COMPOSITIONS FOR THE SYNTHESIS OF RNA, METHODS OF SYNTHESIS, AND METHODS OF DEPROTECTION AGILENT TECHNOLOGIES, INC. (US) 2007-10-04 WO claimed
US-20070100138-A1 Monomer compositions for the synthesis of polynucleotides, methods of synthesis, and methods of deprotection THE REGENTS OF THE UNIVERSITY OF COLORADO 2007-05-03 US claimed
US-20070100136-A1 Monomer compositions for the synthesis of RNA, methods of synthesis, and methods of deprotection AGILENT TECHNOLOGIES, INC. 2007-05-03 US claimed
WO-2018229261-A1 COMBINATION MEDICAMENT COMPRISING A PRODRUG AND INHALABLE CATALYST ETH Zürich (CH) 2018-12-20 WO disclosed
EP-2647713-B1 MODIFIED SINGLE-STRAND POLYNUCLEOTIDE DAIICHI SANKYO CO LTD (JP) 2018-02-21 EP disclosed
US-8987226-B2 Modified single-stranded polynucleotides DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-03-24 US disclosed
EP-2567964-B1 Monomer compositions for the synthesis of RNA, methods of synthesis, and methods of deprotection AGILENT TECHNOLOGIES INC (US) 2015-02-11 EP disclosed
EP-2647713-A1 MODIFIED SINGLE-STRAND POLYNUCLEOTIDE DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-10-09 EP disclosed
US-8552174-B2 Solutions, methods, and processes for deprotection of polynucleotides AGILENT TECHNOLOGIES, INC. (US) 2013-10-08 US disclosed
EP-1095947-A1 NOVEL ANTIBACTERIAL COMPOUNDS Sankyo Company Limited (JP) 2001-05-02 EP disclosed
US-5547941-A VIRICIDES; USED IN TREATMENT OF HIV AND AIDS FARMITALIA CARLO ERBA S.R.L. (IT) 1996-08-20 US disclosed
EP-0541742-A1 2',5'-NUCLEOTIDE ANALOGS AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN S.p.A. (IT) 1993-05-19 EP disclosed
WO-1992021691-A1 2',5'-NUCLEOTIDE ANALOGS AS ANTIVIRAL AGENTS FARMITALIA CARLO ERBA S.R.L. (IT) 1992-12-10 WO disclosed
US-4424331-A Stable, anaerobically-hardening adhesives containing mixed amine oxide/HN-acidic compound initiators HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1984-01-03 US disclosed
US-4386194-A ACRYLIC ESTERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1983-05-31 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 (2 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-20070100136-A1 Monomer compositions for the synthesis of RNA, methods of synthesis, and methods of deprotection RNGTT, RNMT, NSUN2 MAPT 2498/4885L3MBTL1 474/4885MAPK1 3561/4885
US-20070100138-A1 Monomer compositions for the synthesis of polynucleotides, methods of synthesis, and methods of deprotection POLN, NT5C3B, PCNA MAPT 2467/4885L3MBTL1 1596/4885MAPK1 3279/4885

“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.