SCHEMBL128527

SCHEMBL128527

O=NC(=O)c1cccnc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
GAA P10253 2/20 0.61
APP P05067 1/20 0.61
HCAR3 P49019 1/20 0.61
HCAR2 Q8TDS4 1/20 0.61
F7 P08709 1/20 0.59
F3 P13726 1/20 0.59
SARM1 Q6SZW1 1/20 0.59
SIRT2 Q8IXJ6 1/20 0.59
SIRT6 Q8N6T7 1/20 0.59
SIRT1 Q96EB6 1/20 0.59
SIRT3 Q9NTG7 1/20 0.59
SIRT5 Q9NXA8 1/20 0.59
SIRT4 Q9Y6E7 1/20 0.59
HDAC1 Q13547 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
PLOD2 O00469 2/20 0.52
LMNA P02545 2/20 0.50
THRB P10828 1/20 0.50
HIF1A Q16665 1/20 0.50

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
SCHEMBL30202509 1.00 ALDH1A1 (0.61) ALDH1A1GAAAPPHCAR3HCAR2
Formic Acid SCHEMBL30468942 0.93 ALDH1A1 (0.53) ALDH1A1GAAAPPHCAR3HCAR2
Nitric Acid SCHEMBL29118937 0.89 ALDH1A1 (0.50) ALDH1A1GAAAPPHCAR3HCAR2
SCHEMBL2000039 0.85 ALDH1A1 (0.63) ALDH1A1GAAAPPHCAR3HCAR2
SCHEMBL4186314 0.82 GAA (0.59) ALDH1A1GAAAPPHCAR3HCAR2
SCHEMBL27764010 0.82 ALDH1A1 (0.59) ALDH1A1GAAAPPHCAR3HCAR2
SCHEMBL28323645 0.80 ALDH1A1 (0.57) ALDH1A1GAAAPPHCAR3HCAR2
SCHEMBL9580010 0.80 ALDH1A1 (0.57) ALDH1A1GAAAPPHCAR3HCAR2
SCHEMBL10918990 0.79 ALDH1A1 (0.55) ALDH1A1GAAAPPHCAR3HCAR2
SCHEMBL27714167 0.79 F7 (0.63) ALDH1A1GAAAPPHCAR3HCAR2

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 1813 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12584924-B2 Compositions and methods for diagnosing and treating chronic kidney disease SOCIETE DES PRODUITS NESTLE S.A. (CH) 2026-03-24 US claimed
CN-118562565-A Stable semiconductor chip cleaning liquid and preparation method and application thereof 浙江奥首材料科技有限公司 2024-08-30 CN claimed
US-20240290431-A1 BIOMARKER AND DIAGNOSIS SYSTEM FOR COLORECTAL CANCER DETECTION HANGZHOU CALIBRA DIAGNOSTICS CO LTD (CN) 2024-08-29 US claimed
CN-117554512-A Simple beta-nicotinamide mononucleotide differential alpha-isomer and other related substance detection method 江苏信佑生物有限公司 2024-02-13 CN claimed
CN-117443319-A Production process of 2-chloro-3-cyanopyridine 老河口市天和科技有限公司 2024-01-26 CN claimed
WO-2023156070-A1 COSMETIC COMPOSITION THE BOOTS COMPANY PLC (GB) 2023-08-24 WO claimed
WO-2023156069-A1 COSMETIC COMPOSITION COMPRISING EXTRACT OF OPHIOPOGON JAPONICUS AND AT LEAST ONE CERAMIDE THE BOOTS COMPANY PLC (GB) 2023-08-24 WO claimed
WO-2023144235-A1 METHODS FOR MONITORING AND TREATING WARBURG EFFECT IN PATIENTS WITH PI3K-RELATED DISORDERS INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2023-08-03 WO claimed
US-20230204604-A1 COMPOSITIONS AND METHODS FOR DIAGNOSING AND TREATING CHRONIC KIDNEY DISEASE SOCIETE DES PRODUITS NESTLE S.A. (CH) 2023-06-29 US claimed
US-20230157939-A1 PERSONAL CARE COMPOSITIONS WITH ENHANCED SOLUBILITY ACTIVES CONOPCO, INC., D/B/A UNILEVER (US) 2023-05-25 US claimed
US-6469035-B1 REDUCING THE CAPACITY OF AN EXTENDED RELEASE NICOTINIC ACID TO PROVOKE A FLUSHING REACTION BY ORALLY PRETREATING WITH AN AGENT WHICH INHIBITS OR REDUCES PROSTAGLANDIN PGD2 INDUCED BY NICOTINIC ACID; FDA ORANGE BOOK LISTED PATENT FOR NIACIN AND SIMVASTATIN KOS LIFE SCIENCES LLC 2002-10-22 US claimed
US-6143770-A MIXTURES OF TOCOTRIENOL AND NICOTINIC ACID LIPOGENICS, INC. (US) 2000-11-07 US claimed
EP-1017390-A2 COMBINATIONS OF HMG-COA INHIBITORS AND NICOTINIC ACID COMPOUNDS AND METHODS FOR TREATING HYPERLIPIDEMIA ONCE A DAY AT NIGHT KOS PHARMACEUTICALS, INC. (US) 2000-07-12 EP claimed
EP-0999844-A1 PRETREATING HYPERLIPIDEMIC INDIVIDUALS WITH A FLUSH INHIBITING AGENT PRIOR TO NICOTINIC ACID THERAPY KOS PHARMACEUTICALS, INC. (US) 2000-05-17 EP claimed
WO-1999006052-A9 METHODS OF PRETREATING HYPERLIPIDEMIC INDIVIDUALS WITH A FLUSH INHIBITING AGENT PRIOR TO THE START OF SINGLE DAILY DOSE NICOTINIC ACID THERAPY TO REDUCE FLUSHING PROVOKED BY NICOTINIC ACID KOS PHARMA INC (US) 1999-04-29 WO claimed
WO-1999006052-A1 METHODS OF PRETREATING HYPERLIPIDEMIC INDIVIDUALS WITH A FLUSH INHIBITING AGENT PRIOR TO THE START OF SINGLE DAILY DOSE NICOTINIC ACID THERAPY TO REDUCE FLUSHING PROVOKED BY NICOTINIC ACID KOS PHARMACEUTICALS, INC. (US) 1999-02-11 WO claimed
WO-1999006035-A2 COMBINATIONS OF HMG-CoA REDUCTASE INHIBITORS AND NICOTINIC ACID COMPOUNDS AND METHODS FOR TREATING HYPERLIPIDEMIA ONCE A DAY AT NIGHT KOS PHARMACEUTICALS, INC. (US) 1999-02-11 WO claimed
US-5472687-A A water in oil or oil in water emulsion for treating hair loss ; free of hypotensive agent, side-effect reduction PROCTOR PETER H (US) 1995-12-05 US claimed
EP-0327263-B1 Hair growth stimulation with nitroxide and other radicals PROCTOR PETER H (US) 1994-09-07 EP claimed
US-4568628-A Water developable diazo printing plate composition with quaternary nitrogen stabilizer POLYCHROME CORPORATION (US) 1986-02-04 US claimed

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-20230157939-A1 PERSONAL CARE COMPOSITIONS WITH ENHANCED SOLUBILITY ACTIVES CUTA, CBS, SLC7A11 ALDH1A1 3111/4885GAA 2143/4885APP 862/4885
US-12584924-B2 Compositions and methods for diagnosing and treating chronic kidney disease GLS, AADAT, FGF23 ALDH1A1 822/4885GAA 1419/4885APP 3520/4885

“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.