SCHEMBL161322

SCHEMBL161322

CN(C)C(=O)c1cccnc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
GAA P10253 2/20 0.59
APP P05067 1/20 0.59
HCAR3 P49019 1/20 0.59
HCAR2 Q8TDS4 1/20 0.59
HTT P42858 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
HSD17B10 Q99714 4/20 0.56
TSHR P16473 2/20 0.56
ALOX15 P16050 2/20 0.56
USP2 O75604 1/20 0.56
TP53 P04637 1/20 0.56

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
SCHEMBL31699264 1.00 ALDH1A1 (0.59) ALDH1A1GAAAPPHCAR3HCAR2
Hydrochloric Acid SCHEMBL7835171 0.98 ALDH1A1 (0.57) ALDH1A1GAAAPPHCAR3HCAR2
Bromide SCHEMBL6550191 0.98 ALDH1A1 (0.57) ALDH1A1GAAAPPHCAR3HCAR2
SCHEMBL29089330 0.98 ALDH1A1 (0.57) ALDH1A1GAAAPPHCAR3HCAR2
Iodide SCHEMBL27448062 0.98 ALDH1A1 (0.57) ALDH1A1GAAAPPHCAR3HCAR2
Hydrogen Peroxide SCHEMBL28248196 0.98 ALDH1A1 (0.62) ALDH1A1GAAAPPHCAR3HCAR2
Nicotinyl Methylamide SCHEMBL21826684 0.88 HDAC1 (0.56) ALDH1A1GAAAPPHCAR3HCAR2
SCHEMBL93651 0.86 ALDH1A1 (0.57) ALDH1A1GAAAPPHCAR3HCAR2
SCHEMBL4002015 0.85 F7 (0.58) ALDH1A1GAAAPPHCAR3HCAR2
SCHEMBL12562403 0.85 ALDH1A1 (0.55) 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 704 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4687829-A1 COMPOSITION FOR CARING FOR KERATIN MATERIALS L'OREAL (FR) 2026-02-11 EP claimed
US-20250381116-A1 SOLUBILIZATION OF THIOPYRIDINONE COMPOUND AND COMPOSITION COMPRISING SAME OREAL (FR) 2025-12-18 US claimed
US-12486260-B2 Indazolyl-isoxazole derivatives for the treatment of diseases such as cancer MERCK PATENT GMBH (DE) 2025-12-02 US claimed
CN-120081975-A Preparation method of corrosion and scale inhibition integrated thickener for cationic acidizing and fracturing 爱森(中国)絮凝剂有限公司 2025-06-03 CN claimed
WO-2025091239-A1 COMPOSITION IN THE FORM OF OIL-IN-WATER EMULSION L'OREAL (FR) 2025-05-08 WO claimed
WO-2025091220-A2 COMPOSITION IN THE FORM OF OIL-IN-WATER EMULSION L'OREAL (FR) 2025-05-08 WO claimed
EP-4543408-A1 SOLUBILIZATION OF THIOPYRIDINONE COMPOUND AND COMPOSITION COMPRISING SAME L'OREAL (FR) 2025-04-30 EP claimed
CN-115427409-B Pyrimidine-4 (3H) -one derivatives as TRPV4 antagonists 拉夸里亚创药株式会社 2025-02-25 CN claimed
WO-2024197798-A1 COMPOSITION FOR CARING FOR KERATIN MATERIALS L'OREAL (FR) 2024-10-03 WO claimed
CN-117736085-A Catalytic hydrogenation preparation method of 2-methyl succinic acid 河北旭阳能源有限公司 2024-03-22 CN claimed
WO-1998033786-A1 ACCELERATED CATALYSIS OF OLEFINIC EPOXIDATIONS THE SCRIPPS RESEARCH INSTITUTE (US) 1998-08-06 WO claimed
CN-1164174-A Antidote composition and method of using the same NITROKEMIA RT (HU) 1997-11-05 CN claimed
US-5474971-A High speed disintegration E. I. DU PONT DE NEMOURS AND COMPANY (US) 1995-12-12 US claimed
CN-1077842-A Reversible agricultural gel and paste composition DU PONT (US) 1993-11-03 CN claimed
CN-1077838-A The sweep-out method of spray tank DU PONT (US) 1993-11-03 CN claimed
WO-1993016596-A1 METHOD FOR SPRAY TANK CLEANOUT E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-09-02 WO claimed
CN-1074083-A The tablet formulation that contains internal desiccant DU PONT (US) 1993-07-14 CN claimed
CN-1065181-A WATER-DISPERSIBLE GRANULES AGRICULTURAL COMPOSITIONS MADE BY HEAT EXTRUSION DU PONT (US) 1992-10-14 CN claimed
CN-87101735-A HERBICIDAL PYRIDINE SULFONAMIDES 1987-09-16 CN claimed
US-4018932-A 2,3,5,6-TETRAHYDRO-IMIDAZO (2,1-6) THIAZOLE AMERICAN CYANAMID COMPANY (US) 1977-04-19 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-12486260-B2 Indazolyl-isoxazole derivatives for the treatment of diseases such as cancer KIT, TNNI3K, CILK1 ALDH1A1 421/4885GAA 988/4885APP 4731/4885
US-20250381116-A1 SOLUBILIZATION OF THIOPYRIDINONE COMPOUND AND COMPOSITION COMPRISING SAME TBCB, CCNB3, CYP24A1 ALDH1A1 2124/4885GAA 4523/4885APP 694/4885

“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.