SCHEMBL4014575

SCHEMBL4014575

CC(=O)OC[C@H]1O[C@@H](n2cc([N+](=O)[O-])c3c(N)ncnc32)[C@](C)(OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 6/20 0.35
▸ ADORA2A P29274 2/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ ADORA2B P29275 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ ATG7 O95352 2/20 0.31
▸ PRMT5 O14744 1/20 0.30
▸ WDR77 Q9BQA1 1/20 0.30
▸ XDH P47989 1/20 0.30
▸ PRKAB2 O43741 1/20 0.30
▸ PRKAG1 P54619 1/20 0.30
▸ PRKAA2 P54646 1/20 0.30
▸ PRKAA1 Q13131 1/20 0.30
▸ PRKAG3 Q9UGI9 1/20 0.30
▸ PRKAG2 Q9UGJ0 1/20 0.30
▸ PRKAB1 Q9Y478 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ GALR3 O60755 1/20 0.30
▸ S1PR4 O95977 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30

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
SCHEMBL14081712 1.00 ADK (0.35) ADKADORA2AADORA3ADORA2BADORA1
SCHEMBL4020271 0.90 ALDH1A1 (0.35) ADKXDHPRKAB2PRKAG1PRKAA2
SCHEMBL13598728 0.90 ALDH1A1 (0.35) ADKXDHPRKAB2PRKAG1PRKAA2
SCHEMBL13494110 0.88 ADK (0.38) ADKADORA2AATG7XDHPRKAB2
SCHEMBL16497062 0.87 ADK (0.41) ADKADORA2AATG7PRMT5XDH
SCHEMBL13650036 0.86 LMNA (0.30) ALDH1A1MAPT
SCHEMBL4020373 0.86 XDH (0.34) XDHPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL16496534 0.85 ADK (0.36) ADKADORA2AATG7XDHPRKAB2
SCHEMBL13494103 0.83 ADK (0.34) ADKATG7XDHPRKAB2PRKAG1
SCHEMBL14081722 0.82 ADORA2A (0.44) ADKADORA2AADORA3PRMT5WDR77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010015637-A1 NEW ANTIVIRAL MODIFIED NUCLEOSIDES NOVARTIS AG (CH) 2010-02-11 — — WO disclosed
US-20090253648-A1 Tricyclic-Nucleoside Compounds for Treating Viral Infections SMITHKLINE BEECHAM CORPORATION (US) 2009-10-08 — — US disclosed
US-7524825-B2 Tricyclic-nucleoside compounds for treating viral infections SMITHKLINE BEECHAM CORPORATION (US) 2009-04-28 — — US disclosed
US-20090048189-A1 TRICYCLIC-NUCLEOSIDE COMPOUNDS FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. 2009-02-19 — — US disclosed
US-7414031-B2 5-nitro-nucleoside compounds for treating viral infections GENELABS TECHNOLOGIES, INC. (US) 2008-08-19 — — US disclosed
US-20060252715-A1 Tricyclic-nucleoside compounds for treating viral infections GENELABS TECHNOLOGIES, INC. 2006-11-09 — — US disclosed
US-20060111311-A1 5-nitro-nucleoside compounds for treating viral infections GENELABS TECHNOLOGIES, INC. 2006-05-25 — — 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-20090048189-A1 TRICYCLIC-NUCLEOSIDE COMPOUNDS FOR TREATING VIRAL INFECTIONS TYMP, PNP, NSUN2 ADK 944/4885ADORA2A 334/4885ADORA3 537/4885
US-20060111311-A1 5-nitro-nucleoside compounds for treating viral infections PNP, NT5C3B, NSUN2 ADK 596/4885ADORA2A 340/4885ADORA3 508/4885
US-20060252715-A1 Tricyclic-nucleoside compounds for treating viral infections PNP, TYMP, NSUN2 ADK 365/4885ADORA2A 145/4885ADORA3 165/4885
US-20090253648-A1 Tricyclic-Nucleoside Compounds for Treating Viral Infections PNP, TYMP, NSUN2 ADK 365/4885ADORA2A 145/4885ADORA3 165/4885

“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.

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