SCHEMBL2587803

SCHEMBL2587803

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

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TK1 P04183 2/20 0.58
DNMT1 P26358 4/20 0.55
ADRB1 P08588 1/20 0.55
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
BLM P54132 1/20 0.45
PMP22 Q01453 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL2585638 0.86 DNMT1 (0.55) TK1DNMT1ADRB1LMNASMN1; SMN2
SCHEMBL4291160 0.86 DNMT1 (0.55) TK1DNMT1ADRB1LMNASMN1; SMN2
SCHEMBL2584723 0.86 DNMT1 (0.55) TK1DNMT1ADRB1LMNASMN1; SMN2
SCHEMBL4276793 0.86 LMNA (0.58) TK1DNMT1ADRB1LMNASMN1; SMN2
SCHEMBL2588008 0.86 LMNA (0.58) TK1DNMT1ADRB1LMNASMN1; SMN2
SCHEMBL2584344 0.86 DNMT1 (0.55) TK1DNMT1ADRB1LMNASMN1; SMN2
SCHEMBL2582482 0.85 DNMT1 (0.54) TK1DNMT1ADRB1
Idoxuridine SCHEMBL15850897 0.84 TK1 (0.61) TK1DNMT1ADRB1LMNASMN1; SMN2
SCHEMBL2579557 0.84 TK1 (0.61) TK1DNMT1ADRB1LMNASMN1; SMN2
SCHEMBL2583109 0.84 TK1 (0.51) TK1DNMT1ADRB1LMNASMN1; SMN2

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 5 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-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 12/4885DNMT1 2568/4885ADRB1 744/4885
US-20110269707-A1 Modified nucleosides for the treatment of viral infections and abnormal cellullar proliferation PNP, ALPP, XDH TK1 35/4885DNMT1 2658/4885ADRB1 1219/4885
US-10100076-B2 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation SLC29A1, SLC29A2, PNP TK1 5/4885DNMT1 3151/4885ADRB1 349/4885
US-20030087873-A1 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation SLC29A1, PNP, SLC29A2 TK1 12/4885DNMT1 2832/4885ADRB1 848/4885

“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.