SCHEMBL2580138

SCHEMBL2580138

Nc1nc(=O)n([C@@H]2O[C@H](CO)C[C@H]2O)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 6/20 0.40
ADRB1 P08588 1/20 0.40
ALB P02768 1/20 0.39
LMNA P02545 4/20 0.37
MTOR P42345 2/20 0.37
TP53 P04637 2/20 0.37
HTT P42858 2/20 0.37
ALDH1A1 P00352 2/20 0.37
THRB P10828 1/20 0.37
MDM2 Q00987 1/20 0.37
NCOA1 Q15788 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
GMNN O75496 1/20 0.37
NFKB1 P19838 1/20 0.37
THPO P40225 1/20 0.37
RAB9A P51151 1/20 0.37
BLM P54132 1/20 0.37
HBB P68871 1/20 0.37
PMP22 Q01453 1/20 0.37
TLR7 Q9NYK1 2/20 0.36

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
SCHEMBL6717159 1.00 DNMT1 (0.40) DNMT1ADRB1ALBLMNAMTOR
SCHEMBL2583037 0.88 DNMT1 (0.42) DNMT1ADRB1ALBLMNAMTOR
SCHEMBL2583043 0.88 DNMT1 (0.42) DNMT1ADRB1ALBLMNAMTOR
SCHEMBL8622667 0.87 ALB (0.41) DNMT1ADRB1ALBLMNAMTOR
SCHEMBL8622675 0.87 ALB (0.41) DNMT1ADRB1ALBLMNAMTOR
SCHEMBL1738190 0.86 DNMT1 (0.41) DNMT1ADRB1ALBLMNAMTOR
SCHEMBL12300470 0.86 DNMT1 (0.41) DNMT1ADRB1ALBLMNAMTOR
SCHEMBL12030667 0.86 DNMT1 (0.41) DNMT1ADRB1ALBLMNAMTOR
SCHEMBL1738187 0.86 DNMT1 (0.41) DNMT1ADRB1ALBLMNAMTOR
SCHEMBL2580762 0.85 DNMT1 (0.40) DNMT1ADRB1ALBLMNAMTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040248844-A1 Method for the treatment or prevention of Flavivirus infections using nucleoside analogues ISMAILI HICHAM MOULAY ALAOUI (CA) 2004-12-09 US claimed
US-20020019363-A1 Method for the treatment or prevention of flavivirus infections using nucleoside analogues VIROCHEM PHARMA INC. (CA) 2002-02-14 US claimed
US-10100076-B2 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation GILEAD PHARMASSET LLC (US) 2018-10-16 US disclosed
US-20140057863-A1 MODIFIED NUCLEOSIDES FOR THE TREATMENT OF VIRAL INFECTIONS AND ABNORMAL CELLULAR PROLIFERATION GILEAD SCIENCES, INC. (US) 2014-02-27 US disclosed
US-20110269707-A1 Modified nucleosides for the treatment of viral infections and abnormal cellullar proliferation PHARMASSET, INC. 2011-11-03 US disclosed
EP-1411954-B1 MODIFIED NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS AND ABNORMAL CELLULAR PROLIFERATION PHARMASSET INC (US) 2010-12-15 EP disclosed
EP-2251015-A1 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation Pharmasset, Inc. (US) 2010-11-17 EP disclosed
US-6784161-B2 VIRICIDES FOR HEPATITIS C BIOCHEM PHARMA, INC. (CA) 2004-08-31 US disclosed
EP-1411954-A2 MODIFIED NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS AND ABNORMAL CELLULAR PROLIFERATION Pharmasset Limited (BB) 2004-04-28 EP disclosed
US-20030087873-A1 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation PHARMASSET, INC. 2003-05-08 US disclosed
WO-2002032920-A2 MODIFIED NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS AND ABNORMAL CELLULAR PROLIFERATION PHARMASSET LIMITED (BB) 2002-04-25 WO 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 (6 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-20040248844-A1 Method for the treatment or prevention of Flavivirus infections using nucleoside analogues NUDT1, HAVCR2, SLC28A1 DNMT1 1551/4885ADRB1 3565/4885ALB 1932/4885
US-20020019363-A1 Method for the treatment or prevention of flavivirus infections using nucleoside analogues NUDT1, HAVCR2, SLC28A1 DNMT1 1551/4885ADRB1 3565/4885ALB 1932/4885
US-20140057863-A1 MODIFIED NUCLEOSIDES FOR THE TREATMENT OF VIRAL INFECTIONS AND ABNORMAL CELLULAR PROLIFERATION SLC29A1, PNP, SLC29A2 DNMT1 2568/4885ADRB1 744/4885ALB 3294/4885
US-20110269707-A1 Modified nucleosides for the treatment of viral infections and abnormal cellullar proliferation PNP, ALPP, XDH DNMT1 2658/4885ADRB1 1219/4885ALB 3183/4885
US-10100076-B2 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation SLC29A1, SLC29A2, PNP DNMT1 3151/4885ADRB1 349/4885ALB 3735/4885
US-20030087873-A1 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation SLC29A1, PNP, SLC29A2 DNMT1 2832/4885ADRB1 848/4885ALB 3667/4885

“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.