SCHEMBL21798516

SCHEMBL21798516

CC(=O)OC[C@H]1OC(n2cnc3c(Cl)nc(Cl)nc32)[C@H](OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 1.00
TP53 P04637 2/20 1.00
ALDH1A1 P00352 2/20 1.00
MAPT P10636 1/20 1.00
TDP1 Q9NUW8 1/20 1.00
ACHE P22303 5/20 0.54
PRKAB2 O43741 1/20 0.53
PRKAG1 P54619 1/20 0.53
PRKAA2 P54646 1/20 0.53
PRKAA1 Q13131 1/20 0.53
PRKAG3 Q9UGI9 1/20 0.53
PRKAG2 Q9UGJ0 1/20 0.53
PRKAB1 Q9Y478 1/20 0.53
THRB P10828 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HIF1A Q16665 1/20 0.47
ADORA3 P0DMS8 4/20 0.46
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 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
SCHEMBL3948255 1.00 LMNA (1.00) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL29609278 1.00 LMNA (1.00) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL5983791 1.00 LMNA (1.00) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL3770300 1.00 LMNA (1.00) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL13012214 1.00 LMNA (1.00) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL13062149 1.00 LMNA (1.00) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL24371902 1.00 LMNA (1.00) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL6884789 1.00 LMNA (1.00) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL22826797 1.00 LMNA (1.00) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL5410879 1.00 LMNA (1.00) LMNATP53ALDH1A1MAPTTDP1

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
WO-2024049929-A2 PANNEXIN-1 MODULATORS AND METHODS OF TREATING DISORDERS IN WHICH PANNEXIN-1 IS IMPLICATED PANNEX THERAPEUTICS INC. (US) 2024-03-07 WO disclosed
WO-2023156601-A1 DIAGNOSTICS FOR DETECTING ECTO-5'-NUCLEOTIDASE (CD73) Westfälische Wilhelms-Universität Münster (DE) 2023-08-24 WO disclosed
US-20200078388-A1 CD73 INHIBITORS AND PHARMACEUTICAL USES THEREOF RISEN (SUZHOU) PHARMA TECH CO, LTD. (CN) 2020-03-12 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 (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-20200078388-A1 CD73 INHIBITORS AND PHARMACEUTICAL USES THEREOF ENTPD5, ENTPD1, NT5E LMNA 2134/4885TP53 1410/4885ALDH1A1 390/4885

“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.