SCHEMBL888141

SCHEMBL888141

Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](COCc2ccccc2[N+](=O)[O-])O1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 3/20 0.58
P2RY1 P47900 1/20 0.58
POLB P06746 1/20 0.55
ADORA3 P0DMS8 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA2B P29275 1/20 0.47
ADORA1 P30542 1/20 0.47
SLC29A1 Q99808 2/20 0.47
TYMP P19971 1/20 0.45
NT5E P21589 1/20 0.43
STING1 Q86WV6 1/20 0.43
DTYMK P23919 2/20 0.43
HIF1A Q16665 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
SCHEMBL888099 0.88 ENPP1 (0.52) ENPP1P2RY1POLBADORA3ADORA2A
SCHEMBL13268768 0.86 ENPP1 (0.59) ENPP1P2RY1POLBTYMPHIF1A
SCHEMBL888156 0.85 POLB (0.48) ENPP1P2RY1POLB
SCHEMBL13268760 0.85 ADORA1 (0.67) ENPP1P2RY1ADORA3ADORA2AADORA2B
SCHEMBL888197 0.84 POLB (0.57) ENPP1P2RY1POLBSLC29A1TYMP
SCHEMBL14665960 0.84 SLC29A1 (0.49) ENPP1P2RY1POLBADORA3ADORA2A
SCHEMBL888132 0.84 SLC29A1 (0.49) ENPP1P2RY1POLBADORA3ADORA2A
SCHEMBL21563856 0.84 SLC29A1 (0.49) ENPP1P2RY1POLBADORA3ADORA2A
SCHEMBL888135 0.84 SLC29A1 (0.49) ENPP1P2RY1POLBADORA3ADORA2A
SCHEMBL29763178 0.84 SLC29A1 (0.49) ENPP1P2RY1POLBADORA3ADORA2A

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
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-8753684-B2 Particulate UV protection agent MERCK PATENT GMBH (DE) 2014-06-17 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-20120258154-A1 PARTICULATE UV PROTECTION AGENT SACHTLEBEN CHEMIE GMBH (DE) 2012-10-11 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-20100034893-A1 PARTICULATE UV PROTECTION AGENT MERCK PATENT GMBH (DE) 2010-02-11 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 (4 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 ENPP1 170/4885P2RY1 873/4885POLB 28/4885
US-20130072388-A1 PHOTOCLEAVABLE LABELED NUCLEOTIDES AND NUCLEOSIDES AND METHODS FOR THEIR USE IN IN DNA SEQUENCING UNG, NT5C3B, OGG1 ENPP1 154/4885P2RY1 793/4885POLB 29/4885
US-20120258154-A1 PARTICULATE UV PROTECTION AGENT SOD1, SOD3, UNG ENPP1 2633/4885P2RY1 4332/4885POLB 49/4885
US-20100034893-A1 PARTICULATE UV PROTECTION AGENT SOD1, SOD3, UNG ENPP1 2633/4885P2RY1 4332/4885POLB 49/4885

“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.