SCHEMBL2956140

SCHEMBL2956140

CC(C)(O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.60
HSD17B10 Q99714 1/20 0.50
KMT2A Q03164 3/20 0.47
MEN1 O00255 1/20 0.47
TDP1 Q9NUW8 4/20 0.47
GPR35 Q9HC97 1/20 0.47
PDK1 Q15118 1/20 0.46
PDK2 Q15119 1/20 0.46
PDK3 Q15120 1/20 0.46
PDK4 Q16654 1/20 0.46
ALDH1A1 P00352 6/20 0.46
HTT P42858 1/20 0.46
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
MMP13 P45452 1/20 0.44
TSHR P16473 1/20 0.42

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
SCHEMBL8331183 0.88 NPSR1 (0.60) NPSR1HSD17B10KMT2AMEN1TDP1
SCHEMBL7528689 0.85 NPSR1 (0.57) NPSR1HSD17B10KMT2AMEN1TDP1
SCHEMBL9336413 0.83 NPSR1 (0.59) NPSR1HSD17B10KMT2AMEN1TDP1
SCHEMBL30486812 0.83 NPSR1 (0.59) NPSR1HSD17B10KMT2AMEN1TDP1
SCHEMBL419987 0.83 NPSR1 (0.59) NPSR1HSD17B10KMT2AMEN1TDP1
SCHEMBL27602261 0.82 NPSR1 (0.58) NPSR1HSD17B10KMT2AMEN1TDP1
SCHEMBL23929022 0.82 NPSR1 (0.57) NPSR1HSD17B10KMT2AMEN1TDP1
SCHEMBL28552981 0.82 NPSR1 (0.57) NPSR1HSD17B10KMT2AMEN1TDP1
SCHEMBL17945919 0.81 MAPK1 (0.54) NPSR1KMT2AMEN1TDP1PDK1
SCHEMBL5180040 0.81 NPSR1 (0.51) NPSR1HSD17B10KMT2AMEN1TDP1

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
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
US-8552174-B2 Solutions, methods, and processes for deprotection of polynucleotides AGILENT TECHNOLOGIES, INC. (US) 2013-10-08 US disclosed
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 disclosed
US-8202985-B2 Monomer compositions for the synthesis of polynucleotides, methods of synthesis, and methods of deprotection AGILENT TECHNOLOGIES, INC. (US) 2012-06-19 US disclosed
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 disclosed
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 disclosed
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 disclosed
EP-1792909-A1 Synthesis of polynucleotides Agilent Technologies, Inc. (US) 2007-06-06 EP disclosed
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 disclosed
US-20070100137-A1 Solutions, methods, and processes for deprotection of polynucleotides THE REGENTS OF THE UNIVERSITY OF COLORADO 2007-05-03 US disclosed
US-20070100136-A1 Monomer compositions for the synthesis of RNA, methods of synthesis, and methods of deprotection AGILENT TECHNOLOGIES, INC. 2007-05-03 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-20070100136-A1 Monomer compositions for the synthesis of RNA, methods of synthesis, and methods of deprotection RNGTT, RNMT, NSUN2 NPSR1 2518/4885HSD17B10 3549/4885KMT2A 1745/4885
US-20070100138-A1 Monomer compositions for the synthesis of polynucleotides, methods of synthesis, and methods of deprotection POLN, NT5C3B, PCNA NPSR1 2199/4885HSD17B10 3993/4885KMT2A 3202/4885
US-20070100137-A1 Solutions, methods, and processes for deprotection of polynucleotides POLN, POLRMT, POLM NPSR1 1503/4885HSD17B10 4230/4885KMT2A 4244/4885

“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.