SCHEMBL4876463

SCHEMBL4876463

Nc1nccc(NC2OC(CO)C(O)C2O)c1[N+](=O)[O-]

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADK P55263 1/20 0.67
GRK6 P43250 2/20 0.54
CA1 P00915 6/20 0.45
CA2 P00918 6/20 0.45
ADORA3 P0DMS8 2/20 0.42
TSHR P16473 1/20 0.40
SLC5A2 P31639 1/20 0.39

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
SCHEMBL12870506 1.00 ADK (0.67) ADKGRK6CA1CA2ADORA3
SCHEMBL4874019 0.90 ADK (0.54) ADKGRK6CA1CA2ADORA3
SCHEMBL15890542 0.82 ADK (0.71) ADKGRK6CA1CA2ADORA3
SCHEMBL4870595 0.82 ADK (0.61) ADKGRK6CA1CA2ADORA3
SCHEMBL12870515 0.82 ADK (0.61) ADKGRK6CA1CA2ADORA3
SCHEMBL12171058 0.82 ADK (0.71) ADKGRK6CA1CA2ADORA3
SCHEMBL4874072 0.82 ADK (0.71) ADKGRK6CA1CA2ADORA3
SCHEMBL18520000 0.82 ADK (0.48) ADKGRK6CA1CA2TSHR
SCHEMBL25390414 0.81 ADK (1.00) ADKGRK6CA1CA2
SCHEMBL14003840 0.81 ADK (1.00) ADKGRK6CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080090774-A1 Nucleoside compounds and their use for treating cancer and diseases associated with somatic mutations PTC THERAPEUTICS, INC. 2008-04-17 US claimed
EP-1534726-A2 NUCLEOSIDE COMPOUNDS AND THEIR USE FOR TREATING CANCER AND DISEASES ASSOCIATED WITH SOMATIC MUTATIONS PTC Therapeutics, Inc. (US) 2005-06-01 EP claimed
US-20040067900-A1 Nucleoside compounds and their use for treating cancer and diseases associated with somatic mutations PTC THERAPEUTICS, INC. 2004-04-08 US claimed
WO-2004009609-A2 NUCLEOSIDE COMPOUNDS AND THEIR USE FOR TREATING CANCER AND DISEASES ASSOCIATED WITH SOMATIC MUTATIONS PTC THERAPEUTICS, INC. (US) 2004-01-29 WO claimed
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-7291603-B2 Nucleoside compounds and their use for treating cancer and diseases associated with somatic mutations PTC THERAPEUTICS, INC. (US) 2007-11-06 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 (3 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 523/4885GRK6 3946/4885CA1 4880/4885
US-20040067900-A1 Nucleoside compounds and their use for treating cancer and diseases associated with somatic mutations NSUN2, RNMT, NSUN3 ADK 198/4885GRK6 3642/4885CA1 4825/4885
US-20080090774-A1 Nucleoside compounds and their use for treating cancer and diseases associated with somatic mutations NSUN2, RNMT, NSUN3 ADK 198/4885GRK6 3642/4885CA1 4825/4885

“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.