SCHEMBL6887845

SCHEMBL6887845

CC(=O)OC[C@H]1O[C@@H](n2cnc3c(Cl)ncnc32)[C@H](OC(C)=O)[C@H]1OC(C)=O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.77
ALDH1A1 P00352 2/20 0.77
TP53 P04637 1/20 0.77
MAPT P10636 1/20 0.77
TDP1 Q9NUW8 1/20 0.77
PRKAB2 O43741 1/20 0.63
PRKAG1 P54619 1/20 0.63
PRKAA2 P54646 1/20 0.63
PRKAA1 Q13131 1/20 0.63
PRKAG3 Q9UGI9 1/20 0.63
PRKAG2 Q9UGJ0 1/20 0.63
PRKAB1 Q9Y478 1/20 0.63
ACHE P22303 4/20 0.48
THRB P10828 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HIF1A Q16665 1/20 0.48
TYMP P19971 1/20 0.47
P2RX3 P56373 1/20 0.44
P2RX4 Q99571 1/20 0.44
P2RX2 Q9UBL9 1/20 0.44

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
SCHEMBL3163131 1.00 LMNA (0.77) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL13264312 1.00 LMNA (0.77) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL14075781 1.00 LMNA (0.77) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL14030780 1.00 LMNA (0.77) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL3853209 1.00 LMNA (0.77) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL10001661 1.00 LMNA (0.77) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL14088746 1.00 LMNA (0.77) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL6363723 0.95 LMNA (0.70) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL20705942 0.93 LMNA (0.67) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL471152 0.92 LMNA (0.66) LMNAALDH1A1TP53MAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210338706-A1 ADENOSINE ANALOG AND ITS USE IN REGULATING THE CIRCADIAN CLOCK NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2021-11-04 US disclosed
EP-1411954-A2 MODIFIED NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS AND ABNORMAL CELLULAR PROLIFERATION Pharmasset Limited (BB) 2004-04-28 EP disclosed
WO-2002032920-A2 MODIFIED NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS AND ABNORMAL CELLULAR PROLIFERATION PHARMASSET LIMITED (BB) 2002-04-25 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-20210338706-A1 ADENOSINE ANALOG AND ITS USE IN REGULATING THE CIRCADIAN CLOCK PER2, CRY1, ADORA2A LMNA 2993/4885ALDH1A1 2469/4885TP53 4641/4885

“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.