SCHEMBL4874484

SCHEMBL4874484

Nc1ncnc(NC2OC(CCO)C(O)C2O)c1[N+](=O)[O-]

nearest known ligand 0.83

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADK P55263 1/20 0.83
HTT P42858 5/20 0.42
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PRMT1 Q99873 1/20 0.40
NOD2 Q9HC29 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
GRK6 P43250 1/20 0.38

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
SCHEMBL12870499 1.00 ADK (0.83) ADKHTTNPC1ALDH1A1PRMT1
SCHEMBL182039 0.91 ADK (1.00) ADKHTTNPC1ALDH1A1GRK6
SCHEMBL14317644 0.91 ADK (1.00) ADKHTTNPC1ALDH1A1GRK6
SCHEMBL4863651 0.91 ADK (1.00) ADKHTTNPC1ALDH1A1GRK6
SCHEMBL25390216 0.91 ADK (1.00) ADKHTTNPC1ALDH1A1GRK6
SCHEMBL25390414 0.91 ADK (1.00) ADKHTTNPC1ALDH1A1GRK6
SCHEMBL14003840 0.91 ADK (1.00) ADKHTTNPC1ALDH1A1GRK6
SCHEMBL25391024 0.91 ADK (1.00) ADKHTTNPC1ALDH1A1GRK6
SCHEMBL4873358 0.91 ADK (1.00) ADKHTTNPC1ALDH1A1GRK6
SCHEMBL30598238 0.91 ADK (1.00) ADKHTTNPC1ALDH1A1GRK6

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 6 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
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
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 523/4885HTT 68/4885NPC1 333/4885
US-20040067900-A1 Nucleoside compounds and their use for treating cancer and diseases associated with somatic mutations NSUN2, RNMT, NSUN3 ADK 198/4885HTT 174/4885NPC1 257/4885
US-20080090774-A1 Nucleoside compounds and their use for treating cancer and diseases associated with somatic mutations NSUN2, RNMT, NSUN3 ADK 198/4885HTT 174/4885NPC1 257/4885

“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.