Niacinamide

Niacinamide

SCHEMBL810723

NC(=O)c1cccnc1.O=C(O)C(OO)C(O)CO

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F7 P08709 1/20 0.58
F3 P13726 1/20 0.58
SARM1 Q6SZW1 1/20 0.58
SIRT2 Q8IXJ6 1/20 0.58
SIRT6 Q8N6T7 1/20 0.58
SIRT1 Q96EB6 1/20 0.58
SIRT3 Q9NTG7 1/20 0.58
SIRT5 Q9NXA8 1/20 0.58
SIRT4 Q9Y6E7 1/20 0.58
ALDH1A1 P00352 4/20 0.44
APP P05067 1/20 0.44
GAA P10253 1/20 0.44
HCAR3 P49019 1/20 0.44
HCAR2 Q8TDS4 1/20 0.44
LMNA P02545 3/20 0.43
KDM4E B2RXH2 2/20 0.43
PLOD2 O00469 1/20 0.42
HTT P42858 2/20 0.41
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41

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 SCHEMBL810524 0.91 ALDH1A1 (0.57) F7F3SARM1SIRT2SIRT6
Adonitol SCHEMBL27591282 0.83 F7 (0.69) F7F3SARM1SIRT2SIRT6
Mannitol SCHEMBL9807801 0.83 F7 (0.69) F7F3SARM1SIRT2SIRT6
Mannitol SCHEMBL21807508 0.81 F7 (0.61) F7F3SARM1SIRT2SIRT6
Niacinamide SCHEMBL4472261 0.80 SIRT2 (0.59) F7F3SARM1SIRT2SIRT6
Niacinamide SCHEMBL28309509 0.80 SIRT2 (0.59) F7F3SARM1SIRT2SIRT6
Niacinamide SCHEMBL27877775 0.80 F7 (0.73) F7F3SARM1SIRT2SIRT6
Cadaverine Tartrate SCHEMBL28825318 0.79 F7 (0.51) F7F3SARM1SIRT2SIRT6
Xylose SCHEMBL23925306 0.79 F7 (0.58) F7F3SARM1SIRT2SIRT6
Xylose SCHEMBL938610 0.79 F7 (0.58) F7F3SARM1SIRT2SIRT6

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040156873-A1 Topically Bioavailable Acne and Rosacea Treatment Compositions GUPTA SHYAM K (US) 2004-08-12 US claimed
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 claimed
US-10173943-B2 Non-corrosive nitrification inhibitor polar solvent formulation DOW AGROSCIENCES, LLC (US) 2019-01-08 US disclosed
US-10173942-B2 Non-corrosive nitrification inhibitor polar solvent formulation DOW AGROSCIENCES, LLC (US) 2019-01-08 US disclosed
WO-2017069827-A1 NON-CORROSIVE NITRIFICATION INHIBITOR POLAR SOLVENT FORMULATION DOW AGROSCIENCES, LLC (US) 2017-04-27 WO disclosed
WO-2017069828-A1 NON-CORROSIVE NITRIFICATION INHIBITOR POLAR SOLVENT FORMULATION DOW AGROSCIENCES, LLC (US) 2017-04-27 WO disclosed
US-20160332930-A1 NON-CORROSIVE NITRIFICATION INHIBITOR POLAR SOLVENT FORMULATION SPECIALTY OPERATIONS FRANCE (FR) 2016-11-17 US disclosed
US-20160332931-A1 NON-CORROSIVE NITRIFICATION INHIBITOR POLAR SOLVENT FORMULATION SPECIALTY OPERATIONS FRANCE (FR) 2016-11-17 US 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
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
WO-2006023710-A2 COSMETIC OR PHARMACEUTICAL COMPOSITION FOR SKIN CARE INFINITY2 HEALTH SCIENCES, INC. (US) 2006-03-02 WO disclosed
US-20060039887-A1 Cosmetic or pharmaceutical composition for skin care INFINITY2 HEALTH SCIENCES, INC. 2006-02-23 US disclosed
US-20040228884-A1 Ion-pair delivery system for cosmetic and pharmaceutical compositions GUPTA SHYAM K (US) 2004-11-18 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 (4 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-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 F7 3574/4885F3 337/4885SARM1 3854/4885
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 F7 3797/4885F3 671/4885SARM1 3530/4885
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 F7 3797/4885F3 671/4885SARM1 3530/4885
US-20100004304-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF MALIGNANT MELANOMA, BREAST, PROSTATE, COLON, PAPILLARY THYROID AND PANCREATIC CANCER STAT3, STAT6, TLR3 F7 1753/4885F3 587/4885SARM1 3840/4885

“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.