SCHEMBL21243069

SCHEMBL21243069

O=C(OC1CCC(OC(=O)c2cccnc2)CC1)c1cccnc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.59
KMT2A Q03164 6/20 0.54
ATM Q13315 1/20 0.54
APP P05067 1/20 0.52
GAA P10253 1/20 0.52
HCAR3 P49019 1/20 0.52
HCAR2 Q8TDS4 1/20 0.52
MAPT P10636 2/20 0.51
LMNA P02545 2/20 0.50
F7 P08709 1/20 0.50
F3 P13726 1/20 0.50
SARM1 Q6SZW1 1/20 0.50
SIRT2 Q8IXJ6 1/20 0.50
SIRT6 Q8N6T7 1/20 0.50
SIRT1 Q96EB6 1/20 0.50
SIRT3 Q9NTG7 1/20 0.50
SIRT5 Q9NXA8 1/20 0.50
SIRT4 Q9Y6E7 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL30261641 1.00 ALDH1A1 (0.59) ALDH1A1KMT2AATMAPPGAA
SCHEMBL9717131 0.92 ALDH1A1 (0.54) ALDH1A1KMT2AATMAPPGAA
SCHEMBL23418669 0.89 ALDH1A1 (0.51) ALDH1A1KMT2AATMAPPGAA
Inositol Niacinate SCHEMBL13557040 0.84 ALDH1A1 (0.65) ALDH1A1KMT2AATMAPPGAA
Inositol Niacinate SCHEMBL29499769 0.84 ALDH1A1 (0.65) ALDH1A1KMT2AATMAPPGAA
Inositol Niacinate SCHEMBL122590 0.84 ALDH1A1 (0.65) ALDH1A1KMT2AATMAPPGAA
Inositol Niacinate SCHEMBL122591 0.84 ALDH1A1 (0.65) ALDH1A1KMT2AATMAPPGAA
SCHEMBL31113601 0.83 ALDH1A1 (0.49) ALDH1A1KMT2AATMGAAMAPT
SCHEMBL30184905 0.82 ALDH1A1 (0.43) ALDH1A1KMT2AATMGAAMAPT
SCHEMBL20433953 0.82 ALDH1A1 (0.50) ALDH1A1KMT2AATMAPPGAA

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 ALDH1A1 647/4885KMT2A 3784/4885ATM 1920/4885
US-11180521-B2 Nicotinamide riboside analogs, pharmaceutical compositions, and uses thereof NAMPT, NADK, NNT ALDH1A1 647/4885KMT2A 3784/4885ATM 1920/4885

“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.