SCHEMBL2579556

SCHEMBL2579556

O=c1nc(NO)c(/C=C/Br)cn1[C@H]1C[C@H](O)[C@@H](CO)O1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TK1 P04183 2/20 0.61
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
TSHR P16473 1/20 0.61
BLM P54132 1/20 0.61
PMP22 Q01453 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
DNMT1 P26358 4/20 0.50
ADRB1 P08588 1/20 0.50
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL2579557 1.00 TK1 (0.61) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL2583113 0.92 TK1 (0.51) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL2583109 0.92 TK1 (0.51) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL2584207 0.90 DNMT1 (0.50) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL2584210 0.90 DNMT1 (0.50) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL2575404 0.88 DNMT1 (0.48) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL2575407 0.88 DNMT1 (0.48) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL2586907 0.87 DNMT1 (0.52) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL2579450 0.85 DNMT1 (0.46) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL2579453 0.85 DNMT1 (0.46) TK1CYP1A2CYP3A4TSHRBLM

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-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-20030087873-A1 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation PHARMASSET, INC. 2003-05-08 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-20140057863-A1 MODIFIED NUCLEOSIDES FOR THE TREATMENT OF VIRAL INFECTIONS AND ABNORMAL CELLULAR PROLIFERATION SLC29A1, PNP, SLC29A2 TK1 12/4885CYP1A2 506/4885CYP3A4 298/4885
US-20110269707-A1 Modified nucleosides for the treatment of viral infections and abnormal cellullar proliferation PNP, ALPP, XDH TK1 35/4885CYP1A2 1267/4885CYP3A4 967/4885
US-10100076-B2 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation SLC29A1, SLC29A2, PNP TK1 5/4885CYP1A2 702/4885CYP3A4 592/4885
US-20030087873-A1 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation SLC29A1, PNP, SLC29A2 TK1 12/4885CYP1A2 651/4885CYP3A4 385/4885

“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.