SCHEMBL21243068

SCHEMBL21243068

O=C(OC/C=C/COC(=O)c1cccnc1)c1cccnc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.62
KMT2A Q03164 5/20 0.62
TDP1 Q9NUW8 3/20 0.62
L3MBTL1 Q9Y468 1/20 0.60
ALDH1A1 P00352 6/20 0.59
KDM4E B2RXH2 2/20 0.57
MAPT P10636 2/20 0.56
MAPK1 P28482 1/20 0.56
MEN1 O00255 1/20 0.56
USP2 O75604 1/20 0.56
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
HPGD P15428 1/20 0.52
AGTR1 P30556 1/20 0.52
CYP2C19 P33261 1/20 0.52
GAA P10253 2/20 0.52
APP P05067 1/20 0.52
HCAR3 P49019 1/20 0.52

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
SCHEMBL503334 0.87 LMNA (0.59) LMNAKMT2ATDP1L3MBTL1ALDH1A1
Charcoal, Activated SCHEMBL9762824 0.85 LMNA (0.57) LMNAKMT2ATDP1L3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL27365345 0.85 LMNA (0.57) LMNAKMT2ATDP1L3MBTL1ALDH1A1
SCHEMBL25009812 0.84 L3MBTL1 (0.76) LMNAKMT2ATDP1L3MBTL1ALDH1A1
SCHEMBL30556174 0.84 L3MBTL1 (0.76) LMNAKMT2ATDP1L3MBTL1ALDH1A1
SCHEMBL8922120 0.83 L3MBTL1 (0.54) LMNAKMT2ATDP1L3MBTL1ALDH1A1
SCHEMBL8922122 0.83 L3MBTL1 (0.54) LMNAKMT2ATDP1L3MBTL1ALDH1A1
SCHEMBL14741028 0.82 LMNA (0.66) LMNAKMT2ATDP1L3MBTL1ALDH1A1
SCHEMBL17978281 0.82 KMT2A (0.66) LMNAKMT2ATDP1L3MBTL1ALDH1A1
Ethyl Nicotinate SCHEMBL8164637 0.81 L3MBTL1 (0.71) LMNAKMT2ATDP1L3MBTL1ALDH1A1

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-11180521-B2 Nicotinamide riboside analogs, pharmaceutical compositions, and uses thereof METRO INTERNATIONAL BIOTECH, LLC (US) 2021-11-23 US disclosed
US-20210032280-A1 NICOTINAMIDE RIBOSIDE ANALOGS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF METRO INTERNATIONAL BIOTECH, LLC 2021-02-04 US disclosed
WO-2019152416-A1 NICOTINAMIDE RIBOSIDE ANALOGS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF METRO INTERNATIONAL BIOTECH, LLC (US) 2019-08-08 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 (2 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-20210032280-A1 NICOTINAMIDE RIBOSIDE ANALOGS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF NAMPT, NADK, NNT LMNA 1520/4885KMT2A 3784/4885TDP1 669/4885
US-11180521-B2 Nicotinamide riboside analogs, pharmaceutical compositions, and uses thereof NAMPT, NADK, NNT LMNA 1520/4885KMT2A 3784/4885TDP1 669/4885

“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.