SCHEMBL743301

SCHEMBL743301

O=C(N=S)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 4/20 0.50
ALDH1A1 P00352 3/20 0.50
CES2 O00748 3/20 0.50
MAPT P10636 3/20 0.50
TDP1 Q9NUW8 3/20 0.50
MAPK1 P28482 2/20 0.50
TSHR P16473 2/20 0.50
CYP3A4 P08684 2/20 0.50
DAO P14920 1/20 0.50
NAPRT Q6XQN6 1/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NR4A2 P43354 1/20 0.50
GSK3B P49841 2/20 0.46
PTPN1 P18031 2/20 0.46
TRPA1 O75762 1/20 0.46

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
SCHEMBL27401337 0.97 NR4A2 (0.48) CES1ALDH1A1CES2MAPTTDP1
Thioacetamide SCHEMBL11747863 0.87 MAPT (0.46) CES1ALDH1A1CES2MAPTTDP1
SCHEMBL2950166 0.79 CES1 (0.50) CES1ALDH1A1CES2MAPTTDP1
SCHEMBL543877 0.78 CES1 (0.55) CES1ALDH1A1CES2MAPTTDP1
SCHEMBL10443502 0.76 CES1 (0.52) CES1ALDH1A1CES2MAPTTDP1
SCHEMBL611693 0.76 CES1 (0.52) CES1ALDH1A1CES2MAPTTDP1
SCHEMBL1165410 0.76 CES1 (0.52) CES1ALDH1A1CES2MAPTTDP1
SCHEMBL14394997 0.75 KMT2A (0.54) ALDH1A1MAPTTDP1MAPK1KDM4E
SCHEMBL10764490 0.75 CES1 (0.46) CES1ALDH1A1CES2MAPTTDP1
SCHEMBL826345 0.74 CA2 (0.52) CES1ALDH1A1CES2MAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3346842-B1 STABLE INOCULANT COMPOSITIONS AND METHODS FOR PRODUCING SAME NOVONESIS PLANT BIOSOLUTIONS AS (DK) 2026-03-25 EP claimed
CN-112004813-A Oxadiazole compounds for controlling phytopathogenic fungi PI工业有限公司 2020-11-27 CN claimed
EP-1035169-B1 FLAME-RETARDANT POLYCARBONATE RESIN COMPOSITION SUMITOMO DOW LTD (JP) 2003-06-18 EP claimed
CN-112004813-B Oxadiazole compounds for controlling phytopathogenic fungi PI工业有限公司 2024-03-29 CN disclosed
WO-2024046834-A1 ANTIOXIDANT COMPOSITION COMPRISING 5-DEOXYFLAVONOIDS ANALYTICON DISCOVERY GMBH (DE) 2024-03-07 WO disclosed
EP-4331564-A1 ANTIOXIDANT COMPOSITION COMPRISING 5-DEOXYFLAVONOIDS Analyticon Discovery GmbH (DE) 2024-03-06 EP disclosed
CN-115430597-B Super-hydrophilic nickel-based multilayer composite film material and preparation method and application thereof 中国科学院宁波材料技术与工程研究所 2023-03-07 CN disclosed
CN-115449876-B Gradient wetting copper-nickel multilayer composite material and preparation method and application thereof 中国科学院宁波材料技术与工程研究所 2023-02-28 CN disclosed
US-20220402881-A1 SMALL MOLECULE PROSTAGLADIN TRANSPORT INHIBITORS ALBERT EINSTEIN COLLEGE OF MEDICINE 2022-12-22 US disclosed
CN-115449876-A Gradient wetting copper-nickel multilayer composite material and preparation method and application thereof 中国科学院宁波材料技术与工程研究所 2022-12-09 CN disclosed
CN-115430597-A Super-hydrophilic nickel-based multilayer composite film material and preparation method and application thereof 中国科学院宁波材料技术与工程研究所 2022-12-06 CN disclosed
EP-1902039-B1 6-OXAZOL-4-YLMETHOXY-ALKOXYMETHYL SUBSTITUTED BENZOIC ACID DERIVATIVES FORMING PPAR LIGANDS, METHODS FOR PRODUCTION AND THE USE THEREOF IN THE FORM OF DRUGS SANOFI AVENTIS (FR) 2010-10-13 EP disclosed
WO-2010075962-A1 SUBSTITUTED (THIOPHENYL-CARBONYL)IMIDAZOLIDINONES, AND USE THEREOF AICURIS GMBH & CO. KG (DE) 2010-07-08 WO disclosed
WO-2010009820-A2 SULPHATES OF POLYHYDRIC ALCOHOLS, POLYOLS, SACCHARIDES AND POLYSACCHARIDES FOR AGRICULTURAL APPLICATIONS COGNIS IP MANAGEMENT GMBH (DE) 2010-01-28 WO disclosed
EP-2099453-A2 COMBINATION THERAPY OF SUBSTITUTED OXAZOLIDINONES Bayer Schering Pharma Aktiengesellschaft (DE) 2009-09-16 EP disclosed
WO-2008052671-A2 COMBINATION THERAPY OF SUBSTITUTED OXAZOLIDINONES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-05-08 WO disclosed
CN-101090919-A Graft copolymer, method for producing same and resin composition containing such graft copolymer KANEGAFUCHI CHEMICAL IND (JP) 2007-12-19 CN disclosed
US-4118442-A Anaerobic pressure sensitive adhesive composition AVERY PRODUCTS CORPORATION (US) 1978-10-03 US disclosed
US-4092374-A Anaerobic pressure sensitive adhesive composition AVERY PRODUCTS CORPORATION (US) 1978-05-30 US disclosed
US-4092376-A Anaerobic pressure sensitive adhesive composition AVERY PRODUCTS CORPORATION (US) 1978-05-30 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 (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-20220402881-A1 SMALL MOLECULE PROSTAGLADIN TRANSPORT INHIBITORS PTGER1, PTGIS, PTGIR CES1 749/4885ALDH1A1 875/4885CES2 2766/4885

“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.