SCHEMBL888197

SCHEMBL888197

Nc1nc2c(ncn2[C@H]2C[C@H](O)[C@@H](COCc3ccccc3[N+](=O)[O-])O2)c(=O)[nH]1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.57
P2RY2 P41231 1/20 0.51
P2RY4 P51582 1/20 0.51
P2RY6 Q15077 1/20 0.51
TYMP P19971 1/20 0.48
HINT1 P49773 2/20 0.43
GSK3A P49840 2/20 0.42
RPS6KA3 P51812 2/20 0.42
MAPK14 Q16539 2/20 0.42
PNP P00491 2/20 0.42
SLC29A1 Q99808 1/20 0.42
NT5E P21589 2/20 0.41
POLA1 P09884 1/20 0.41
CYP1A2 P05177 1/20 0.41
HBB P68871 1/20 0.41
ENPP1 P22413 1/20 0.41
P2RY1 P47900 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
SCHEMBL2779794 0.85 POLB (0.63) POLBP2RY2P2RY4P2RY6TYMP
SCHEMBL6944760 0.85 KDM4E (0.48) POLBP2RY2P2RY4P2RY6HINT1
SCHEMBL6944765 0.85 KDM4E (0.48) POLBP2RY2P2RY4P2RY6HINT1
SCHEMBL888141 0.84 ENPP1 (0.58) POLBTYMPSLC29A1NT5EENPP1
SCHEMBL7027958 0.81 POLB (0.57) POLBP2RY2P2RY4P2RY6TYMP
SCHEMBL888335 0.81 POLB (0.46) POLBP2RY2P2RY4P2RY6TYMP
SCHEMBL3425765 0.81 POLB (0.66) POLBP2RY2P2RY4P2RY6TYMP
SCHEMBL3744960 0.81 POLB (0.68) POLBP2RY2P2RY4P2RY6TYMP
SCHEMBL21563849 0.80 POLB (0.54) POLBP2RY2P2RY4P2RY6PNP
SCHEMBL13573809 0.80 TK1 (0.40) POLBCYP1A2

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.