SCHEMBL889736

SCHEMBL889736

CC(=O)Nc1nc(OCc2ccc(C#CCNC(=O)C(F)(F)F)cc2[N+](=O)[O-])c2ncn([C@H]3CC(O)[C@@H](CO)O3)c2n1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 2/20 0.38
CYP1A2 P05177 1/20 0.38
HBB P68871 1/20 0.38
HIF1A Q16665 1/20 0.35
PNP P00491 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
HTT P42858 1/20 0.35
PDE4D Q08499 1/20 0.35
PDE3A Q14432 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
POLA1 P09884 1/20 0.34

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
SCHEMBL13918113 1.00 SLC29A1 (0.38) SLC29A1CYP1A2HBBHIF1APNP
SCHEMBL889578 0.92 CYP1A2 (0.46) SLC29A1CYP1A2HBBHIF1APNP
SCHEMBL12570251 0.92 CYP1A2 (0.46) SLC29A1CYP1A2HBBHIF1APNP
SCHEMBL12762714 0.89 SLC29A1 (0.37) SLC29A1CYP1A2HBBHIF1APNP
SCHEMBL12570256 0.89 SLC29A1 (0.37) SLC29A1CYP1A2HBBHIF1APNP
SCHEMBL888333 0.82 CYP1A2 (0.41) SLC29A1CYP1A2HBBHIF1APNP
SCHEMBL890289 0.81 SLC29A1 (0.44) SLC29A1CYP1A2HBBHIF1A
SCHEMBL12570170 0.81 SLC29A1 (0.44) SLC29A1CYP1A2HBBHIF1A
SCHEMBL888198 0.81 SLC29A1 (0.38) SLC29A1CYP1A2HBBHIF1APNP
SCHEMBL888335 0.80 POLB (0.46) CYP1A2HBBPNPPOLA1

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-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-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 213/4885CYP1A2 4047/4885HBB 225/4885

“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.