Niacin

Niacin

SCHEMBL810780

CC(O)C(=O)OCc1ccccc1.O=C(O)c1cccnc1

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.64
LMNA P02545 2/20 0.64
TDP1 Q9NUW8 2/20 0.64
GAA P10253 3/20 0.55
ALDH1A1 P00352 1/20 0.55
APP P05067 1/20 0.55
HCAR3 P49019 1/20 0.55
HCAR2 Q8TDS4 1/20 0.55
MEN1 O00255 2/20 0.48
HTT P42858 1/20 0.48
GFER P55789 1/20 0.48
HSD17B10 Q99714 1/20 0.48
RAB9A P51151 2/20 0.47
PLOD2 O00469 1/20 0.46
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
NPC1 O15118 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CYP3A4 P08684 4/20 0.45
TSHR P16473 2/20 0.44

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
Niacin SCHEMBL6703843 0.86 LMNA (0.63) KMT2ALMNATDP1GAAALDH1A1
Niacin SCHEMBL811046 0.85 LMNA (0.61) KMT2ALMNATDP1GAAALDH1A1
Benzyl Nicotinate SCHEMBL30432197 0.83 TDP1 (0.91) KMT2ALMNATDP1GAAALDH1A1
Niacin SCHEMBL811345 0.82 ALDH1A1 (0.64) KMT2ALMNATDP1GAAALDH1A1
SCHEMBL320610 0.81 ALDH1A1 (0.62) KMT2ALMNATDP1ALDH1A1HCAR2
SCHEMBL1107604 0.81 ALDH1A1 (0.62) KMT2ALMNATDP1ALDH1A1HCAR2
SCHEMBL201855 0.81 ALDH1A1 (0.62) KMT2ALMNATDP1ALDH1A1HCAR2
Niacin SCHEMBL811678 0.80 ALDH1A1 (0.75) LMNATDP1GAAALDH1A1APP
Niacin SCHEMBL5456718 0.79 KMT2A (0.57) KMT2ALMNATDP1GAAALDH1A1
Benzyl Nicotinate SCHEMBL24600 0.79 LMNA (1.00) KMT2ALMNATDP1GAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023119230-A1 COAGULATION PATHWAY AND NICOTINAMIDE-ADENINE DINUCLEOTIDE PATHWAY MODULATING COMPOSITIONS AND METHODS OF THEIR USE L'OREAL (FR) 2023-06-29 WO disclosed
US-20160220536-A1 USE OF PHENYLMETHIMAZOLES, METHIMAZOLE DERIVATIVES, AND TAUTOMERIC CYCLIC THIONES FOR THE TREATMENT OF AUTOIMMUNE/INFLAMMATORY DISEASES ASSOCIATED WITH TOLL-LIKE RECEPTOR OVEREXPRESSION UNIV OHIO (US) 2016-08-04 US disclosed
US-9326972-B2 Use of phenylmethimazoles, methimazole derivatives, and tautomeric cyclic thiones for the treatment of autoimmune/inflammatory diseases associated with toll-like receptor overexpression OHIO UNIVERSITY (US) 2016-05-03 US disclosed
US-20120238610-A1 Use of phenylmethimazoles, methimazole derivatives, and tautomeric cyclic thiones for the treatment of autoimmune/inflammatory diseases associated with toll-like receptor overexpression OHIO UNIVERSITY 2012-09-20 US disclosed
EP-2399578-A1 Methods and compositions for the treatment of autoimmune and inflammatory diseases associated with toll-like receptors The Interthyr Corporation (US) 2011-12-28 EP disclosed
US-20100004304-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF MALIGNANT MELANOMA, BREAST, PROSTATE, COLON, PAPILLARY THYROID AND PANCREATIC CANCER OHIO UNIVERSITY 2010-01-07 US disclosed
EP-1896015-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES ASSOCIATED WITH TOLL-LIKE RECEPTORS The Interthyr Corporation (US) 2008-03-12 EP disclosed
WO-2006124676-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES ASSOCIATED WITH TOLL-LIKE RECEPTORS THE INTERTHYR CORPORATION (US) 2006-11-23 WO disclosed
US-20060211752-A1 Use of phenylmethimazoles, methimazole derivatives, and tautomeric cyclic thiones for the treatment of autoimmune/inflammatory diseases associated with toll-like receptor overexpression BENAVIDES-PERALTA, URUGUAYSITO LORELEY (UY) 2006-09-21 US disclosed
US-20060147508-A1 Concurrent Enhancement of Skin Penetration of Organic Base Active Agents and Organic Hydroxy Acid Active Agents as Their Ion-Pair Complexes BIODERM RESEARCH (US) 2006-07-06 US disclosed
US-20040092482-A1 Hydroxy acids based delivery systems for skin resurfacing and anti-aging compositions GUPTA SHYAM K (US) 2004-05-13 US disclosed
US-20040081672-A1 Niacinamide, niacin, and niacin esters based delivery systems for treating topical disorders of skin and skin aging GUPTA SHYAM K (US) 2004-04-29 US 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 (5 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-20040092482-A1 Hydroxy acids based delivery systems for skin resurfacing and anti-aging compositions CUTA, HIRA, HARS1 KMT2A 1476/4885LMNA 736/4885TDP1 3438/4885
US-20060211752-A1 Use of phenylmethimazoles, methimazole derivatives, and tautomeric cyclic thiones for the treatment of autoimmune/inflammatory diseases associated with toll-like receptor overexpression TLR3, IRF3, TLR4 KMT2A 2358/4885LMNA 4799/4885TDP1 1417/4885
US-20120238610-A1 Use of phenylmethimazoles, methimazole derivatives, and tautomeric cyclic thiones for the treatment of autoimmune/inflammatory diseases associated with toll-like receptor overexpression IRF3, TLR3, TLR4 KMT2A 2589/4885LMNA 4804/4885TDP1 868/4885
US-20160220536-A1 USE OF PHENYLMETHIMAZOLES, METHIMAZOLE DERIVATIVES, AND TAUTOMERIC CYCLIC THIONES FOR THE TREATMENT OF AUTOIMMUNE/INFLAMMATORY DISEASES ASSOCIATED WITH TOLL-LIKE RECEPTOR OVEREXPRESSION IRF3, TLR3, TLR4 KMT2A 2589/4885LMNA 4804/4885TDP1 868/4885
US-20100004304-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF MALIGNANT MELANOMA, BREAST, PROSTATE, COLON, PAPILLARY THYROID AND PANCREATIC CANCER STAT3, STAT6, TLR3 KMT2A 3831/4885LMNA 4674/4885TDP1 3839/4885

“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.