SCHEMBL5548925

SCHEMBL5548925

Nc1nc(I)nc2c1ncn2[C@H]1CC[C@@H](CO)O1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.57
ALDH1A1 P00352 1/20 0.57
ALB P02768 1/20 0.57
MAPK1 P28482 1/20 0.57
CYP1A2 P05177 1/20 0.53
ADORA3 P0DMS8 6/20 0.49
PNP P00491 1/20 0.48
TP53 P04637 1/20 0.48
HTT P42858 1/20 0.48
PDE4D Q08499 1/20 0.48
PDE3A Q14432 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
ADORA1 P30542 2/20 0.47
ADA P00813 1/20 0.44
NT5E P21589 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
SCHEMBL25712959 0.88 LMNA (0.59) LMNAALDH1A1ALBMAPK1CYP1A2
SCHEMBL3239663 0.88 LMNA (0.59) LMNAALDH1A1ALBMAPK1CYP1A2
SCHEMBL7435133 0.87 LMNA (0.58) LMNAALDH1A1ALBMAPK1CYP1A2
SCHEMBL3054167 0.86 LMNA (0.58) LMNAALDH1A1ALBMAPK1CYP1A2
SCHEMBL22862138 0.86 LMNA (0.58) LMNAALDH1A1ALBMAPK1CYP1A2
SCHEMBL23641839 0.86 LMNA (0.54) LMNAALDH1A1ALBMAPK1CYP1A2
SCHEMBL2808298 0.86 LMNA (0.58) LMNAALDH1A1ALBMAPK1CYP1A2
SCHEMBL30694424 0.86 LMNA (0.65) LMNAALDH1A1ALBMAPK1CYP1A2
SCHEMBL9601706 0.86 LMNA (0.57) LMNAALDH1A1ALBMAPK1CYP1A2
SCHEMBL8124562 0.86 LMNA (0.65) LMNAALDH1A1ALBMAPK1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110071101-A1 Nucleoside Phosphonate Analogs BOOJAMRA CONSTANTINE G 2011-03-24 US disclosed
US-20100290990-A1 METHOD FOR PREPARING A MARKED PURINE DERIVATIVE, SAID DERIVATIVE AND USES THEREOF BARRE LOUISA 2010-11-18 US disclosed
US-7807685-B2 Therapeutic compounds CBT DEVELOPMENT LIMITED (GB) 2010-10-05 US disclosed
US-20080076776-A1 Therapeutic compounds BIOVITRUM AB (SE) 2008-03-27 US disclosed
US-20070142317-A1 Topical composition for treatment of skin disorders QLT USA, INC. (US) 2007-06-21 US disclosed
WO-2005065668-A2 TOPICAL COMPOSITIONS COMPRISING HALO-DEOXYADENOSINES FOR TREATMENT OF SKIN DISORDERS QLT USA, INC. (US) 2005-07-21 WO disclosed
US-5013829-A Stable congener of 2',3'-dideoxyadenosine UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 1991-05-07 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-20070142317-A1 Topical composition for treatment of skin disorders CDA, ADA, DCTD LMNA 3214/4885ALDH1A1 620/4885ALB 1342/4885
US-20110071101-A1 Nucleoside Phosphonate Analogs TYMP, PNP, NUDT1 LMNA 1265/4885ALDH1A1 3413/4885ALB 3364/4885
US-20080076776-A1 Therapeutic compounds FPR3, OGFR, OPRK1 LMNA 3103/4885ALDH1A1 2186/4885ALB 2034/4885
US-20100290990-A1 METHOD FOR PREPARING A MARKED PURINE DERIVATIVE, SAID DERIVATIVE AND USES THEREOF TPMT, NUDT1, DUT LMNA 3403/4885ALDH1A1 341/4885ALB 2847/4885

“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.