SCHEMBL889702

SCHEMBL889702

Nc1nc(OCc2ccccc2[N+](=O)[O-])c2ncn([C@H]3CC(O)[C@@H](CO)O3)c2n1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.55
HBB P68871 1/20 0.55
SLC29A1 Q99808 3/20 0.54
PNP P00491 1/20 0.49
LMNA P02545 1/20 0.49
TP53 P04637 1/20 0.49
HTT P42858 1/20 0.49
PDE4D Q08499 1/20 0.49
PDE3A Q14432 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
ADRB1 P08588 1/20 0.46
DNMT1 P26358 1/20 0.46
ADORA3 P0DMS8 1/20 0.42
ADORA1 P30542 1/20 0.42
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
SCHEMBL12570248 1.00 CYP1A2 (0.55) CYP1A2HBBSLC29A1PNPLMNA
SCHEMBL12570249 0.89 CYP1A2 (0.52) CYP1A2HBBSLC29A1PNPLMNA
SCHEMBL14175889 0.89 CYP1A2 (0.54) CYP1A2HBBSLC29A1PNPLMNA
SCHEMBL889704 0.89 CYP1A2 (0.52) CYP1A2HBBSLC29A1PNPLMNA
SCHEMBL14665878 0.87 POLB (0.49) CYP1A2HBBSLC29A1
SCHEMBL12932133 0.85 CYP1A2 (0.54) CYP1A2HBBSLC29A1PNPLMNA
SCHEMBL14789019 0.85 SLC29A1 (0.57) CYP1A2HBBSLC29A1PNPLMNA
SCHEMBL19631163 0.84 PNP (0.56) CYP1A2HBBSLC29A1PNPLMNA
SCHEMBL6016114 0.84 PNP (0.56) CYP1A2HBBSLC29A1PNPLMNA
SCHEMBL14665915 0.82 CYP1A2 (0.46) CYP1A2HBBSLC29A1PNPLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-7897737-B2 Polymorphic identification; fluorescent dyes LASERGEN, INC. (US) 2011-03-01 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 (1 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 CYP1A2 4047/4885HBB 225/4885SLC29A1 213/4885

“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.