SCHEMBL4875665

SCHEMBL4875665

CC1(C)O[C@@H]2[C@H](O1)[C@@H](CO)O[C@H]2Nc1ncnc(Cl)c1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADK P55263 1/20 0.52
CUL4A Q13619 1/20 0.39
PI4KA P42356 1/20 0.37
PI4K2B Q8TCG2 1/20 0.37
PI4K2A Q9BTU6 1/20 0.37
PI4KB Q9UBF8 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA13 Q8N1Q1 1/20 0.36
SLC29A1 Q99808 6/20 0.34
ALDH1A1 P00352 1/20 0.33
GRK6 P43250 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
SCHEMBL4864949 0.89 ADK (0.67) ADKPI4KAPI4K2BPI4K2API4KB
SCHEMBL9805252 0.78 PI4KA (0.43) ADKPI4KAPI4K2BPI4K2API4KB
SCHEMBL9805093 0.78 PI4KA (0.39) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL4876747 0.76 ADK (0.53) ADKALDH1A1
SCHEMBL6258342 0.76 ADK (0.53) ADKALDH1A1
Acetic Acid SCHEMBL4894479 0.75 ADK (0.52) ADKALDH1A1
SCHEMBL9805215 0.74 PI4KA (0.53) ADKPI4KAPI4K2BPI4K2API4KB
SCHEMBL9805147 0.74 PI4KA (0.53) ADKPI4KAPI4K2BPI4K2API4KB
SCHEMBL9805185 0.72 PI4KA (0.40) ADKPI4KAPI4K2BPI4K2API4KB
SCHEMBL9805158 0.72 PI4KA (0.40) ADKPI4KAPI4K2BPI4K2API4KB

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-7449570-B2 Use of nucleoside compounds for nonsense suppression and the treatment of genetic diseases PTC THERAPEUTICS, INC. (US) 2008-11-11 US disclosed
US-20080090774-A1 Nucleoside compounds and their use for treating cancer and diseases associated with somatic mutations PTC THERAPEUTICS, INC. 2008-04-17 US disclosed
US-20060166926-A1 Use of nucleoside compounds for nonsense suppression and the treatment of genetic diseases PTC THERAPEUTICS, INC. 2006-07-27 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-20060166926-A1 Use of nucleoside compounds for nonsense suppression and the treatment of genetic diseases NSUN2, UPF1, NSUN3 ADK 523/4885CUL4A 788/4885PI4KA 4543/4885
US-20080090774-A1 Nucleoside compounds and their use for treating cancer and diseases associated with somatic mutations NSUN2, RNMT, NSUN3 ADK 198/4885CUL4A 978/4885PI4KA 3603/4885

“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.