SCHEMBL888172

SCHEMBL888172

Nc1ccn([C@@]2(Cc3ccccc3[N+](=O)[O-])C[C@H](O)[C@@H](CO)O2)c(=O)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 3/20 0.37
PDE3A Q14432 3/20 0.37
PDE4D Q08499 1/20 0.37
LMNA P02545 3/20 0.37
THRB P10828 1/20 0.37
MTOR P42345 1/20 0.37
MDM2 Q00987 1/20 0.37
NCOA1 Q15788 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.32
SIRT1 Q96EB6 1/20 0.32
CACNA1F O60840 2/20 0.32
ALB P02768 2/20 0.32
MAPT P10636 2/20 0.32
CACNA1D Q01668 2/20 0.32
CACNA1S Q13698 2/20 0.32
CACNA1C Q13936 2/20 0.32
ALDH1A1 P00352 2/20 0.32
TSHR P16473 1/20 0.32
CYP1A2 P05177 1/20 0.31

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
Phosphoric Acid SCHEMBL1514933 0.97 SLC29A1 (0.35) SLC29A1PDE3APDE4DLMNATHRB
SCHEMBL771749 0.83 PDE3A (0.42) SLC29A1PDE3APDE4DLMNATHRB
SCHEMBL4971926 0.80 PDE3A (0.46) SLC29A1PDE3APDE4DLMNATHRB
SCHEMBL888139 0.79 SLC29A1 (0.44) SLC29A1
SCHEMBL1962181 0.79 PDE3A (0.45) SLC29A1PDE3APDE4DLMNATHRB
SCHEMBL888071 0.78 LMNA (0.37) SLC29A1PDE3APDE4DLMNATHRB
SCHEMBL888228 0.78 ADRA2A (0.31) SLC29A1PDE3APDE4D
SCHEMBL7005263 0.78 PDE3A (0.37) SLC29A1PDE3APDE4DLMNATHRB
SCHEMBL7775023 0.78 PDE3A (0.44) SLC29A1PDE3APDE4DLMNATHRB
SCHEMBL28805006 0.77 PDE3A (0.43) SLC29A1PDE3APDE4DLMNATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125856-B1 PHOTOCLEAVABLE LABELED NUCLEOTIDES AND NUCLEOSIDES AND LABELED NUCLEOTIDES AND NUCLEOSIDES AND METHODS FOR THEIR USE IN DNA SEQUENCING LASERGEN INC (US) 2016-09-14 EP disclosed
US-8969535-B2 Photocleavable labeled nucleotides and nucleosides and methods for their use in DNA sequencing LASERGEN, INC. (US) 2015-03-03 US disclosed
US-20130072388-A1 PHOTOCLEAVABLE LABELED NUCLEOTIDES AND NUCLEOSIDES AND METHODS FOR THEIR USE IN IN DNA SEQUENCING AGILENT TECHNOLOGIES, INC. 2013-03-21 US disclosed
US-8361727-B2 3′OH-unblocked, nucleotides and nucleosides base modified with labels and photocleavable, terminating groups and methods for their use in DNA sequencing LASERGEN, INC. (US) 2013-01-29 US disclosed
US-20110287427-A1 3'OH-UNBLOCKED, NUCLEOTIDES AND NUCLEOSIDES BASE MODIFIED WITH LABELS AND PHOTOCLEAVABLE, TERMINATING GROUPS AND METHODS FOR THEIR USE IN DNA SEQUENCING LASERGEN, INC. (US) 2011-11-24 US disclosed
US-7964352-B2 3′-OH unblocked nucleotides and nucleosides, base modified with labels and photocleavable, terminating groups and methods for their use in DNA sequencing LASERGEN, INC. (US) 2011-06-21 US disclosed
US-7897737-B2 Polymorphic identification; fluorescent dyes LASERGEN, INC. (US) 2011-03-01 US disclosed
US-20090081686-A1 PHOTOCLEAVABLE LABELED NUCLEOTIDES AND NUCLEOSIDES AND METHODS FOR THEIR USE IN DNA SEQUENCING AGILENT TECHNOLOGIES, INC. 2009-03-26 US disclosed
US-20080132692-A1 Photocleavable labeled nucleotides and nucleosides and methods for their use in DNA sequencing AGILENT TECHNOLOGIES, INC. 2008-06-05 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-20080132692-A1 Photocleavable labeled nucleotides and nucleosides and methods for their use in DNA sequencing UNG, DCLRE1B, NT5C3B SLC29A1 213/4885PDE3A 1553/4885PDE4D 710/4885
US-20130072388-A1 PHOTOCLEAVABLE LABELED NUCLEOTIDES AND NUCLEOSIDES AND METHODS FOR THEIR USE IN IN DNA SEQUENCING UNG, NT5C3B, OGG1 SLC29A1 189/4885PDE3A 1372/4885PDE4D 601/4885

“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.