Methyl Nicotinate

Methyl Nicotinate

SCHEMBL2176622

COC(=O)c1cccnc1.OC[C@H]1OC(O)[C@H](O)[C@@H]1O

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.62
KMT2A Q03164 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.44
HSD17B10 Q99714 1/20 0.44
THRB P10828 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
Ethyl Nicotinate SCHEMBL502614 0.88 L3MBTL1 (0.51) ALDH1A1KMT2AL3MBTL1
Ribose (Furanose) SCHEMBL5520297 0.84 ALDH1A1 (0.55) ALDH1A1KMT2ATHRB
Ribose (Furanose) SCHEMBL502577 0.84 ALDH1A1 (0.58) ALDH1A1KMT2ATHRB
Ribose (Furanose) SCHEMBL18185139 0.83 F7 (0.59) ALDH1A1THRB
Ribose (Furanose) SCHEMBL14321532 0.83 F7 (0.59) ALDH1A1THRB
Ribose (Furanose) SCHEMBL338518 0.83 F7 (0.59) ALDH1A1THRB
Dextrose SCHEMBL28858708 0.83 TSHR (0.54) ALDH1A1
Ribose (Furanose) SCHEMBL502608 0.82 TSHR (0.43) ALDH1A1HSD17B10THRB
Ribose (Furanose) SCHEMBL23111913 0.82 F7 (0.58) ALDH1A1THRB
SCHEMBL25387949 0.81 ALDH1A1 (0.46) ALDH1A1KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017218580-A1 SYNTHETIC METHODS FOR THE PREPARATION OF NICOTINAMIDE RIBOSIDE AND RELATED COMPOUNDS REJUVENATION THERAPEUTICS CORPORATION (US) 2017-12-21 WO claimed
WO-2017218580-A1 SYNTHETIC METHODS FOR THE PREPARATION OF NICOTINAMIDE RIBOSIDE AND RELATED COMPOUNDS REJUVENATION THERAPEUTICS CORPORATION (US) 2017-12-21 WO disclosed
US-9603862-B2 Activation and activators of SIRT5 CORNELL UNIVERSITY (US) 2017-03-28 US disclosed
US-20120329748-A1 ACTIVATION AND ACTIVATORS OF SIRT5 CORNELL UNIVERSITY (US) 2012-12-27 US disclosed
WO-2011081942-A1 ACTIVATION AND ACTIVATORS OF SIRT5 CORNELL UNIVERSITY (US) 2011-07-07 WO disclosed
EP-1957086-A2 NICOTINOYL RIBOSIDE COMPOSITIONS AND METHODS OF USE CORNELL RESEARCH FOUNDATION, INC. (US) 2008-08-20 EP disclosed
WO-2007061798-A2 NICOTINOYL RIBOSIDE COMPOSITIONS AND METHODS OF USE CORNELL RESEARCH FOUNDATION, INC. (US) 2007-05-31 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 (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-20120329748-A1 ACTIVATION AND ACTIVATORS OF SIRT5 SIRT1, SIRT5, SIRT7 ALDH1A1 2647/4885KMT2A 412/4885L3MBTL1 2261/4885

“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.