Methyl Nicotinate

Methyl Nicotinate

SCHEMBL820747

COC(=O)c1cccnc1.COC(=O)c1cccnc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 1.00
KMT2A Q03164 6/20 0.67
HSD17B10 Q99714 1/20 0.60
APP P05067 1/20 0.59
GAA P10253 1/20 0.59
HCAR3 P49019 1/20 0.59
HCAR2 Q8TDS4 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.58
HDAC1 Q13547 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
TSHR P16473 1/20 0.57
F7 P08709 1/20 0.57
F3 P13726 1/20 0.57
SARM1 Q6SZW1 1/20 0.57
SIRT2 Q8IXJ6 1/20 0.57
SIRT6 Q8N6T7 1/20 0.57
SIRT1 Q96EB6 1/20 0.57
SIRT3 Q9NTG7 1/20 0.57
SIRT5 Q9NXA8 1/20 0.57
SIRT4 Q9Y6E7 1/20 0.57

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
Methyl Nicotinate SCHEMBL29386553 1.00 ALDH1A1 (1.00) ALDH1A1KMT2AHSD17B10APPGAA
Methyl Nicotinate SCHEMBL24566 1.00 ALDH1A1 (1.00) ALDH1A1KMT2AHSD17B10APPGAA
Methyl Nicotinate SCHEMBL30668199 0.98 ALDH1A1 (0.96) ALDH1A1KMT2AHSD17B10APPGAA
Methyl Nicotinate SCHEMBL30541951 0.98 ALDH1A1 (0.96) ALDH1A1KMT2AHSD17B10APPGAA
Methyl Nicotinate SCHEMBL28370871 0.98 ALDH1A1 (0.96) ALDH1A1KMT2AHSD17B10APPGAA
Methyl Nicotinate SCHEMBL29527047 0.98 ALDH1A1 (0.96) ALDH1A1KMT2AHSD17B10APPGAA
Methyl Nicotinate SCHEMBL11491005 0.98 ALDH1A1 (0.96) ALDH1A1KMT2AHSD17B10APPGAA
Methyl Nicotinate SCHEMBL30779127 0.98 ALDH1A1 (0.96) ALDH1A1KMT2AHSD17B10APPGAA
Methyl Nicotinate SCHEMBL30791985 0.98 ALDH1A1 (0.96) ALDH1A1KMT2AHSD17B10APPGAA
Methyl Nicotinate SCHEMBL3086138 0.98 ALDH1A1 (0.96) ALDH1A1KMT2AHSD17B10APPGAA

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
US-11062794-B2 Olfactory signature and odorant mixture having the same YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2021-07-13 US disclosed
US-20180253534-A1 OLFACTORY SIGNATURE AND ODORANT MIXTURE HAVING THE SAME YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2018-09-06 US disclosed
US-8598349-B2 Method for manufacturing conjugated aromatic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-12-03 US disclosed
WO-2013035070-A1 OLFACTORY SIGNATURE AND ODORANT MIXTURE HAVING THE SAME YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2013-03-14 WO disclosed
US-20110275859-A1 METHOD FOR MANUFACTURING CONJUGATED AROMATIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED 2011-11-10 US disclosed
WO-2010100475-A1 HYDROXAMIC ACID DERIVATIVES AS GRAM-NEGATIVE ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2010-09-10 WO disclosed
WO-2007038524-A2 COCRYSTALLIZATION METHODS SSCI, INC. (US) 2007-04-05 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-20110275859-A1 METHOD FOR MANUFACTURING CONJUGATED AROMATIC COMPOUND C9, H1-10, CYP1A1 ALDH1A1 46/4885KMT2A 482/4885HSD17B10 1090/4885

“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.