SCHEMBL888173

SCHEMBL888173

Nc1ccn([C@H]2C[C@H](O)[C@@H](COCc3ccccc3[N+](=O)[O-])O2)c(=O)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.54
P2RY2 P41231 3/20 0.46
P2RY4 P51582 3/20 0.46
P2RY6 Q15077 2/20 0.45
LMNA P02545 3/20 0.39
PDE3A Q14432 3/20 0.39
CACNA1F O60840 2/20 0.39
ALB P02768 2/20 0.39
MAPT P10636 2/20 0.39
CACNA1D Q01668 2/20 0.39
CACNA1S Q13698 2/20 0.39
CACNA1C Q13936 2/20 0.39
ADRB1 P08588 1/20 0.39
DNMT1 P26358 1/20 0.39
THRB P10828 1/20 0.38
MTOR P42345 1/20 0.38
MDM2 Q00987 1/20 0.38
NCOA1 Q15788 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
NT5E P21589 1/20 0.38

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
SCHEMBL771748 0.84 POLB (0.61) POLBP2RY2P2RY4P2RY6LMNA
SCHEMBL1514942 0.83 POLG (0.48) POLBP2RY2P2RY4P2RY6POLG
SCHEMBL21545831 0.82 POLB (0.45) POLBP2RY2P2RY4P2RY6LMNA
SCHEMBL21563970 0.82 POLB (0.45) POLBP2RY2P2RY4P2RY6LMNA
SCHEMBL888072 0.82 POLB (0.51) POLBP2RY2P2RY4P2RY6LMNA
SCHEMBL7005267 0.82 POLB (0.53) POLBP2RY2P2RY4P2RY6LMNA
SCHEMBL26233425 0.81 POLB (0.40) POLBP2RY2P2RY4P2RY6LMNA
SCHEMBL14782265 0.80 DNMT1 (0.50) ADRB1DNMT1
SCHEMBL14681311 0.80 DNMT1 (0.50) ADRB1DNMT1
SCHEMBL14782267 0.80 DNMT1 (0.50) ADRB1DNMT1

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 POLB 28/4885P2RY2 1089/4885P2RY4 588/4885
US-20130072388-A1 PHOTOCLEAVABLE LABELED NUCLEOTIDES AND NUCLEOSIDES AND METHODS FOR THEIR USE IN IN DNA SEQUENCING UNG, NT5C3B, OGG1 POLB 29/4885P2RY2 974/4885P2RY4 541/4885

“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.