SCHEMBL12836239

SCHEMBL12836239

O=C(NCC#Cc1ccc(CNc2ccn([C@H]3CC(O)[C@@H](CO)O3)c(=O)n2)c([N+](=O)[O-])c1)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
SLC29A1 Q99808 2/20 0.34
NT5E P21589 1/20 0.34
DNMT1 P26358 4/20 0.34
ADRB1 P08588 1/20 0.34
PLA2G1B P04054 1/20 0.32
ATG4B Q9Y4P1 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
DRD5 P21918 1/20 0.32
P2RY6 Q15077 1/20 0.32
SIGMAR1 Q99720 1/20 0.32

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
SCHEMBL12570220 1.00 POLB (0.35) POLBSLC29A1NT5EDNMT1ADRB1
SCHEMBL12626707 0.88 SLC29A1 (0.40) POLBSLC29A1NT5EDNMT1ADRB1
SCHEMBL12570221 0.84 ADRA2A (0.32) POLBADRA2AADRA2BDRD5P2RY6
SCHEMBL14175863 0.84 ADRA2A (0.32) POLBADRA2AADRA2BDRD5P2RY6
SCHEMBL888229 0.82 POLB (0.42) POLBNT5EADRA2AADRA2BDRD5
SCHEMBL12570170 0.82 SLC29A1 (0.44) SLC29A1
SCHEMBL890289 0.82 SLC29A1 (0.44) SLC29A1
SCHEMBL888373 0.80 ADRA2A (0.32) ADRA2ADRD5P2RY6
SCHEMBL888333 0.79 CYP1A2 (0.41) SLC29A1DNMT1ADRB1
SCHEMBL888040 0.79 TK1 (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 POLB 28/4885SLC29A1 213/4885NT5E 25/4885

“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.