SCHEMBL24064576

SCHEMBL24064576

NCCOCCOCCOCCOC(=O)c1cccnc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.61
LMNA P02545 4/20 0.58
KMT2A Q03164 4/20 0.55
TDP1 Q9NUW8 2/20 0.55
MAPT P10636 3/20 0.53
GAA P10253 1/20 0.52
ALDH1A1 P00352 5/20 0.51
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 2/20 0.50
USP2 O75604 2/20 0.50
MAPK1 P28482 1/20 0.50
HPGD P15428 2/20 0.49
F7 P08709 1/20 0.47
F3 P13726 1/20 0.47
SARM1 Q6SZW1 1/20 0.47
SIRT2 Q8IXJ6 1/20 0.47
SIRT6 Q8N6T7 1/20 0.47
SIRT1 Q96EB6 1/20 0.47
SIRT3 Q9NTG7 1/20 0.47
SIRT5 Q9NXA8 1/20 0.47

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
SCHEMBL31110571 0.91 L3MBTL1 (0.68) L3MBTL1LMNAKMT2ATDP1MAPT
SCHEMBL7283224 0.91 L3MBTL1 (0.68) L3MBTL1LMNAKMT2ATDP1MAPT
Hydrochloric Acid SCHEMBL8728483 0.89 L3MBTL1 (0.66) L3MBTL1LMNAKMT2ATDP1MAPT
SCHEMBL30556174 0.87 L3MBTL1 (0.76) L3MBTL1LMNAKMT2ATDP1MAPT
SCHEMBL25009812 0.87 L3MBTL1 (0.76) L3MBTL1LMNAKMT2ATDP1MAPT
SCHEMBL7282911 0.85 L3MBTL1 (0.73) L3MBTL1LMNAKMT2ATDP1MAPT
Nitric Acid SCHEMBL29290240 0.83 L3MBTL1 (0.58) L3MBTL1LMNAKMT2ATDP1MAPT
SCHEMBL25329932 0.83 L3MBTL1 (0.62) L3MBTL1LMNAKMT2ATDP1MAPT
Nicoboxil SCHEMBL288321 0.83 L3MBTL1 (0.84) L3MBTL1LMNAKMT2ATDP1MAPT
Nicoboxil SCHEMBL29475326 0.83 L3MBTL1 (0.84) L3MBTL1LMNAKMT2ATDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210371446-A1 SIRT1 ACTIVATING COMPOUNDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2021-12-02 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-20210371446-A1 SIRT1 ACTIVATING COMPOUNDS SIRT1, SIRT2, SIRT3 L3MBTL1 2991/4885LMNA 881/4885KMT2A 458/4885

“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.