SCHEMBL888235

SCHEMBL888235

CC(=O)Nc1nc2c(ncn2[C@H]2C[C@H](O)[C@@H](COC(C)c3ccccc3[N+](=O)[O-])O2)c(=O)[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.49
TAS1R1 Q7RTX1 1/20 0.49
KDM4E B2RXH2 1/20 0.46
POLA1 P09884 1/20 0.46
TYMP P19971 1/20 0.43
POLB P06746 1/20 0.42
P2RY2 P41231 1/20 0.39
P2RY4 P51582 1/20 0.39
P2RY6 Q15077 1/20 0.39
MEN1 O00255 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
ADORA1 P30542 1/20 0.37
SLC29A1 Q99808 1/20 0.37
CYP1A2 P05177 1/20 0.37
HBB P68871 1/20 0.37
TYMS P04818 1/20 0.37

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
SCHEMBL888285 0.91 TAS1R3 (0.47) TAS1R3TAS1R1KDM4EPOLA1TYMP
SCHEMBL888200 0.84 TAS1R3 (0.41) TAS1R3TAS1R1KDM4EPOLA1TYMP
SCHEMBL6892233 0.82 TAS1R3 (0.41) TAS1R3TAS1R1KDM4EPOLA1TYMP
SCHEMBL888102 0.80 ENPP1 (0.54) TYMPPOLBADORA3ADORA2AADORA2B
SCHEMBL31685734 0.79 TAS1R3 (0.75) TAS1R3TAS1R1KDM4EPOLA1POLB
SCHEMBL29559302 0.78 POLA1 (0.66) TAS1R3TAS1R1KDM4EPOLA1
SCHEMBL890293 0.78 POLA1 (0.66) TAS1R3TAS1R1KDM4EPOLA1
SCHEMBL889705 0.78 SLC29A1 (0.44) POLA1ADORA3ADORA1SLC29A1CYP1A2
SCHEMBL12570252 0.78 SLC29A1 (0.44) POLA1ADORA3ADORA1SLC29A1CYP1A2
SCHEMBL25139385 0.77 TAS1R3 (0.57) TAS1R3TAS1R1KDM4EPOLA1TYMP

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 TAS1R3 1740/4885TAS1R1 2980/4885KDM4E 4303/4885
US-20130072388-A1 PHOTOCLEAVABLE LABELED NUCLEOTIDES AND NUCLEOSIDES AND METHODS FOR THEIR USE IN IN DNA SEQUENCING UNG, NT5C3B, OGG1 TAS1R3 1959/4885TAS1R1 3112/4885KDM4E 4147/4885

“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.