SCHEMBL4864949

SCHEMBL4864949

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

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADK P55263 1/20 0.67
PI4KA P42356 1/20 0.45
PI4K2B Q8TCG2 1/20 0.45
PI4K2A Q9BTU6 1/20 0.45
PI4KB Q9UBF8 1/20 0.45
HTT P42858 5/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
PRMT1 Q99873 1/20 0.38
LMNA P02545 1/20 0.38
NOD2 Q9HC29 1/20 0.37
RXFP1 Q9HBX9 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
SCHEMBL4875665 0.89 ADK (0.52) ADKPI4KAPI4K2BPI4K2API4KB
SCHEMBL4876747 0.87 ADK (0.53) ADKHTTNPC1ALDH1A1MAPT
SCHEMBL6258342 0.87 ADK (0.53) ADKHTTNPC1ALDH1A1MAPT
Acetic Acid SCHEMBL4894479 0.85 ADK (0.52) ADKHTTNPC1ALDH1A1MAPT
SCHEMBL9805215 0.82 PI4KA (0.53) ADKPI4KAPI4K2BPI4K2API4KB
SCHEMBL9805147 0.82 PI4KA (0.53) ADKPI4KAPI4K2BPI4K2API4KB
SCHEMBL25391024 0.81 ADK (1.00) ADKHTTNPC1ALDH1A1
SCHEMBL182039 0.81 ADK (1.00) ADKHTTNPC1ALDH1A1
SCHEMBL25390414 0.81 ADK (1.00) ADKHTTNPC1ALDH1A1
SCHEMBL14003840 0.81 ADK (1.00) ADKHTTNPC1ALDH1A1

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 13 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-20160199357-A1 METHODS FOR THE PRODUCTION OF FUNCTIONAL PROTEIN FROM DNA HAVING A NONSENSE MUTATION AND THE TREATMENT OF DISORDERS ASSOCIATED THEREWITH PTC THERAPEUTICS, INC. 2016-07-14 US disclosed
US-9289398-B2 Methods for the production of functional protein from DNA having a nonsense mutation and the treatment of disorders associated therewith PTC THERAPEUTICS, INC. (US) 2016-03-22 US disclosed
US-20110046136-A1 METHODS FOR THE PRODUCTION OF FUNCTIONAL PROTEIN FROM DNA HAVING A NONSENSE MUTATION AND THE TREATMENT OF DISORDERS ASSOCICATED THEREWITH THERAPEUTICS, INC. (US) 2011-02-24 US disclosed
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-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-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-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
US-20040067900-A1 Nucleoside compounds and their use for treating cancer and diseases associated with somatic mutations PTC THERAPEUTICS, INC. 2004-04-08 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 (5 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-20110046136-A1 METHODS FOR THE PRODUCTION OF FUNCTIONAL PROTEIN FROM DNA HAVING A NONSENSE MUTATION AND THE TREATMENT OF DISORDERS ASSOCICATED THEREWITH UPF1, DNAJC10, RNGTT ADK 3337/4885PI4KA 4636/4885PI4K2B 4401/4885
US-20160199357-A1 METHODS FOR THE PRODUCTION OF FUNCTIONAL PROTEIN FROM DNA HAVING A NONSENSE MUTATION AND THE TREATMENT OF DISORDERS ASSOCIATED THEREWITH UPF1, DNAJC10, RNGTT ADK 3595/4885PI4KA 4724/4885PI4K2B 4535/4885
US-20060166926-A1 Use of nucleoside compounds for nonsense suppression and the treatment of genetic diseases NSUN2, UPF1, NSUN3 ADK 523/4885PI4KA 4543/4885PI4K2B 4179/4885
US-20040067900-A1 Nucleoside compounds and their use for treating cancer and diseases associated with somatic mutations NSUN2, RNMT, NSUN3 ADK 198/4885PI4KA 3603/4885PI4K2B 3684/4885
US-20080090774-A1 Nucleoside compounds and their use for treating cancer and diseases associated with somatic mutations NSUN2, RNMT, NSUN3 ADK 198/4885PI4KA 3603/4885PI4K2B 3684/4885

“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.