SCHEMBL9828081

SCHEMBL9828081

OC[C@@H]1CC[C@H](n2cnc3c(O)nnnc32)O1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
LMNA P02545 2/20 0.58
ALB P02768 1/20 0.58
MAPK1 P28482 1/20 0.58
CYP1A2 P05177 1/20 0.47
TDP1 Q9NUW8 1/20 0.45
ABL1 P00519 3/20 0.39
RIN1 Q13671 3/20 0.39
ADA P00813 1/20 0.37
HIF1A Q16665 1/20 0.35
PNP P00491 1/20 0.34
TP53 P04637 1/20 0.34
HTT P42858 1/20 0.34
PDE4D Q08499 1/20 0.34
PDE3A Q14432 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL13787734 0.87 ALDH1A1 (0.56) ALDH1A1LMNAALBMAPK1CYP1A2
SCHEMBL9826496 0.87 ALDH1A1 (0.59) ALDH1A1LMNAALBMAPK1CYP1A2
Didanosine SCHEMBL3364 0.84 ALDH1A1 (0.61) ALDH1A1LMNAALBMAPK1CYP1A2
Didanosine SCHEMBL1769151 0.84 ALDH1A1 (0.61) ALDH1A1LMNAALBMAPK1CYP1A2
Didanosine SCHEMBL12150307 0.84 ALDH1A1 (0.61) ALDH1A1LMNAALBMAPK1CYP1A2
SCHEMBL10438025 0.83 ALDH1A1 (0.57) ALDH1A1LMNAALBMAPK1CYP1A2
Didanosine SCHEMBL7910803 0.83 ALDH1A1 (0.60) ALDH1A1LMNAALBMAPK1CYP1A2
Didanosine SCHEMBL8709115 0.83 ALDH1A1 (0.60) ALDH1A1LMNAALBMAPK1CYP1A2
Didanosine SCHEMBL7910809 0.83 ALDH1A1 (0.60) ALDH1A1LMNAALBMAPK1CYP1A2
Didanosine SCHEMBL7907423 0.82 ALDH1A1 (0.59) ALDH1A1LMNAALBMAPK1CYP1A2

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
JP-3148278-A None JP disclosed
US-9186369-B2 Purine nucleoside analogues for treating flaviviridae including hepatitis C IDENIX PHARMACEUTICALS, LLC (US) 2015-11-17 US disclosed
US-20140234251-A1 PURINE NUCLEOSIDE ANALOGUES FOR TREATING FLAVIVIRIDAE INCLUDING HEPATITIS C INDENIX PHARMACEUTICALS, INC. (US) 2014-08-21 US disclosed
US-8742101-B2 Purine nucleoside analogues for treating flaviviridae including hepatitis C IDENIX PHARMACEUTICALS, INC. (US) 2014-06-03 US disclosed
JP-H03148278-A NOVEL NUCLEOSIDE AND PRODUCTION THEREOF NIPPON KAYAKU CO LTD 1991-06-25 JP 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-20140234251-A1 PURINE NUCLEOSIDE ANALOGUES FOR TREATING FLAVIVIRIDAE INCLUDING HEPATITIS C PNP, TPMT, MTAP ALDH1A1 1160/4885LMNA 2831/4885ALB 1416/4885

“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.