SCHEMBL890289

SCHEMBL890289

O=C(NCC#Cc1ccc(CNc2ccnc3c2ncn3[C@H]2CC(O)[C@@H](CO)O2)c([N+](=O)[O-])c1)C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 4/20 0.44
HIF1A Q16665 1/20 0.39
CYP1A2 P05177 1/20 0.37
HBB P68871 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
SCHEMBL12570170 1.00 SLC29A1 (0.44) SLC29A1HIF1ACYP1A2HBB
SCHEMBL12625962 0.88 SLC29A1 (0.51) SLC29A1HIF1A
SCHEMBL14791849 0.88 SLC29A1 (0.51) SLC29A1HIF1A
SCHEMBL12762669 0.85 SLC29A1 (0.33) SLC29A1
SCHEMBL12570172 0.85 SLC29A1 (0.33) SLC29A1
SCHEMBL888333 0.83 CYP1A2 (0.41) SLC29A1HIF1ACYP1A2HBB
SCHEMBL889578 0.82 CYP1A2 (0.46) SLC29A1HIF1ACYP1A2HBB
SCHEMBL12570251 0.82 CYP1A2 (0.46) SLC29A1HIF1ACYP1A2HBB
SCHEMBL12836239 0.82 POLB (0.35) SLC29A1
SCHEMBL12570220 0.82 POLB (0.35) SLC29A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 SLC29A1 213/4885HIF1A 4673/4885CYP1A2 4047/4885

“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.