SCHEMBL4867112

SCHEMBL4867112

Nc1ncnc(N[C@@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)c1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADK P55263 1/20 0.52
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
USP2 O75604 1/20 0.45
POLB P06746 1/20 0.45
HTT P42858 3/20 0.43
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
XDH P47989 1/20 0.40
P2RX3 P56373 1/20 0.40
P2RX4 Q99571 1/20 0.40
P2RX2 Q9UBL9 1/20 0.40
NOD2 Q9HC29 1/20 0.39
PRMT1 Q99873 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL12870399 1.00 ADK (0.52) ADKKMT2AMEN1USP2POLB
SCHEMBL6260077 0.89 MEN1 (0.45) ADKKMT2AMEN1USP2POLB
SCHEMBL11653615 0.80 ADK (0.42) ADKKMT2AHTTNOD2PRMT1
SCHEMBL11653618 0.80 ADK (0.42) ADKKMT2AHTTNOD2PRMT1
Acetic Acid SCHEMBL4870516 0.73 ADK (0.70) ADKKMT2AHTTXDHPRMT1
Acetic Acid SCHEMBL6254291 0.73 ADK (0.70) ADKKMT2AHTTXDHPRMT1
SCHEMBL24500528 0.70 MEN1 (0.62) KMT2AMEN1USP2POLBCA1
SCHEMBL22333907 0.70 MEN1 (0.62) KMT2AMEN1USP2POLBCA1
SCHEMBL4874484 0.69 ADK (0.83) ADKKMT2AHTTNOD2PRMT1
SCHEMBL12870499 0.69 ADK (0.83) ADKKMT2AHTTNOD2PRMT1

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 10 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-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-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 (4 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-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 3595/4885KMT2A 2626/4885MEN1 2786/4885
US-20060166926-A1 Use of nucleoside compounds for nonsense suppression and the treatment of genetic diseases NSUN2, UPF1, NSUN3 ADK 523/4885KMT2A 1697/4885MEN1 1877/4885
US-20040067900-A1 Nucleoside compounds and their use for treating cancer and diseases associated with somatic mutations NSUN2, RNMT, NSUN3 ADK 198/4885KMT2A 887/4885MEN1 1994/4885
US-20080090774-A1 Nucleoside compounds and their use for treating cancer and diseases associated with somatic mutations NSUN2, RNMT, NSUN3 ADK 198/4885KMT2A 887/4885MEN1 1994/4885

“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.