SCHEMBL21243071

SCHEMBL21243071

O=C(OCCCCOC(=O)c1cccnc1)c1cccnc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.82
L3MBTL1 Q9Y468 1/20 0.82
MAPT P10636 4/20 0.67
ALDH1A1 P00352 4/20 0.67
KMT2A Q03164 3/20 0.67
MEN1 O00255 2/20 0.67
HPGD P15428 1/20 0.67
TDP1 Q9NUW8 3/20 0.64
GAA P10253 1/20 0.59
KDM4E B2RXH2 1/20 0.59
USP2 O75604 2/20 0.57
MAPK1 P28482 1/20 0.57
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
TSHR P16473 1/20 0.56
CYP2C19 P33261 1/20 0.56
NFKB1 P19838 2/20 0.56
NFKB2 Q00653 2/20 0.56
RELA Q04206 2/20 0.56
NPC1 O15118 1/20 0.56

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
SCHEMBL25009811 0.96 L3MBTL1 (0.82) LMNAL3MBTL1MAPTALDH1A1KMT2A
SCHEMBL28833898 0.94 LMNA (0.74) LMNAL3MBTL1MAPTALDH1A1KMT2A
SCHEMBL18668975 0.94 LMNA (0.74) LMNAL3MBTL1MAPTALDH1A1KMT2A
SCHEMBL30556174 0.93 L3MBTL1 (0.76) LMNAL3MBTL1MAPTALDH1A1KMT2A
SCHEMBL25009812 0.93 L3MBTL1 (0.76) LMNAL3MBTL1MAPTALDH1A1KMT2A
SCHEMBL29040282 0.92 LMNA (0.76) LMNAL3MBTL1MAPTALDH1A1KMT2A
SCHEMBL28174525 0.92 LMNA (0.76) LMNAL3MBTL1MAPTALDH1A1KMT2A
SCHEMBL29155474 0.92 LMNA (0.72) LMNAL3MBTL1MAPTALDH1A1KMT2A
SCHEMBL551811 0.92 LMNA (0.97) LMNAL3MBTL1MAPTALDH1A1KMT2A
SCHEMBL28174523 0.92 LMNA (0.76) LMNAL3MBTL1MAPTALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023010200-A1 THERAPEUTIC COORDINATION POLYMERS CONTAINING PHARMACEUTICALS FOR DRUG RELEASE APPLICATIONS UNIVERSITY OF WINDSOR (CA) 2023-02-09 WO disclosed
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 1520/4885L3MBTL1 4664/4885MAPT 919/4885
US-11180521-B2 Nicotinamide riboside analogs, pharmaceutical compositions, and uses thereof NAMPT, NADK, NNT LMNA 1520/4885L3MBTL1 4664/4885MAPT 919/4885

“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.