SCHEMBL2318704

SCHEMBL2318704

NCCCCCCNc1nc2c(N)ncnc2n1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H]1O

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ FBP1 P09467 2/20 0.56
▸ SIRT2 Q8IXJ6 1/20 0.53
▸ SIRT1 Q96EB6 1/20 0.53
▸ ENTPD1 P49961 1/20 0.52
▸ RNASEL Q05823 1/20 0.52

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
SCHEMBL2317501 0.94 FBP1 (0.54) FBP1
SCHEMBL8388000 0.92 FBP1 (0.64) FBP1SIRT2SIRT1ENTPD1
SCHEMBL20266254 0.91 FBP1 (0.63) FBP1SIRT2SIRT1ENTPD1
Adenosine Phosphate SCHEMBL31666008 0.88 P2RY1 (0.69) FBP1RNASEL
Adenosine Phosphate SCHEMBL20529828 0.85 P2RY1 (0.65) FBP1RNASEL
SCHEMBL4209829 0.85 ENTPD1 (0.66) FBP1ENTPD1
SCHEMBL10686147 0.85 FBP1 (0.68) FBP1SIRT2SIRT1ENTPD1
SCHEMBL4206199 0.84 ENTPD1 (0.67) FBP1ENTPD1
Lithium Ion SCHEMBL20266257 0.84 FBP1 (0.60) FBP1SIRT2SIRT1ENTPD1
Lithium Ion SCHEMBL30999928 0.84 FBP1 (0.60) FBP1SIRT2SIRT1ENTPD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110189664-A1 DIAGNOSTICS IN A MONOPLEX/MULTIPLEX FORMAT UNIVERSITY OF WOLLONGONG 2011-08-04 — — US disclosed
US-20090286696-A1 Double-Stranded Olidonucleotides and Uses Therefor UNIVERSITY OF WOLLONGONG 2009-11-19 — — US disclosed
WO-2008148143-A1 DIAGNOSTICS IN A MONOPLEX/MULTIPLEX FORMAT UNIVERSITY OF WOLLONGONG (AU) 2008-12-11 — — WO disclosed
WO-2006081623-A1 DOUBLE-STRANDED OLIGONUCLEOTIDES AND USES THEREFOR THE AUSTRALIAN NATIONAL UNIVERSITY (AU) 2006-08-10 — — 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 (1 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-20090286696-A1 Double-Stranded Olidonucleotides and Uses Therefor DNTT, ADAR, DUT FBP1 3887/4885SIRT2 3550/4885SIRT1 3077/4885

“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.

Send feedback