SCHEMBL4619683

SCHEMBL4619683

O=C1NC(=O)C2C=CC=CC12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.38
ALDH1A1 P00352 2/20 0.31
TSHR P16473 1/20 0.31
CASP1 P29466 1/20 0.31
BRCA1 P38398 1/20 0.31
CASP7 P55210 1/20 0.31
HBB P68871 1/20 0.31
HSD17B10 Q99714 1/20 0.31
GAA P10253 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CACNB4 O00305 1/20 0.31
CACNA1A O00555 1/20 0.31
CACNA1G O43497 1/20 0.31
CACNG3 O60359 1/20 0.31
CACNA1F O60840 1/20 0.31
CACNA1H O95180 1/20 0.31
CACNB3 P54284 1/20 0.31
CACNA2D1 P54289 1/20 0.31
CACNG7 P62955 1/20 0.31
CACNA1B Q00975 1/20 0.31

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
SCHEMBL10401011 1.00 BACE1 (0.38) BACE1ALDH1A1TSHRCASP1BRCA1
SCHEMBL15584563 0.82 BACE1 (0.32) BACE1
SCHEMBL4802180 0.81 ALDH1A1 (0.37) ALDH1A1
SCHEMBL29704518 0.80 BACE1 (0.31) BACE1
SCHEMBL13845917 0.73 BACE1 (0.47) BACE1ALDH1A1TSHR
SCHEMBL1702922 0.71 CA2 (0.37)
SCHEMBL4620453 0.71 MAP3K14 (0.40) TSHRGAA
SCHEMBL12558640 0.69
SCHEMBL19625031 0.69 ALDH1A1 (0.33) ALDH1A1
SCHEMBL12102101 0.69 PARP1 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005069930-A2 ASYMMETRIC HYDROGENATION OF ALPHA-AMINO CARBONYL COMPOUNDS THE PENN STATE RESEARCH FOUNDATION (US) 2005-08-04 WO claimed
US-20050159604-A1 Asymmetric hydrogenation of alpha-amino carbonyl compounds THE PENN STATE RESEARCH FOUNDATION 2005-07-21 US claimed
US-12435181-B2 Formulations capable of reacting with or removal of molecular oxygen LI SHENSHEN (US) 2025-10-07 US disclosed
WO-2023048351-A1 COMPOSITION FOR ENCAPSULATING ORGANIC LIGHT-EMITTING DEVICE AND ORGANIC LIGHT-EMITTING DEVICE DISPLAY APPARATUS COMPRISING ORGANIC LAYER PREPARED THEREFROM 삼성에스디아이 주식회사 2023-03-30 WO disclosed
WO-2023017966-A1 COMPOSITION FOR ENCAPSULATING ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DIODE DISPLAY COMPRISING ORGANIC LAYER MANUFACTURED THEREFROM 삼성에스디아이 주식회사 2023-02-16 WO disclosed
US-20220235174-A1 Formulations capable of reacting with or removal of molecular oxygen LI ZHENZHEN (CN) 2022-07-28 US disclosed
CN-113966271-A Agent capable of reacting with or removing oxygen molecules 李蓁蓁 2022-01-21 CN disclosed
EP-3924160-A1 FORMULATIONS CAPABLE OF REACTING WITH OR REMOVAL OF MOLECULAR OXYGEN Finite Research Ltd (GB) 2021-12-22 EP disclosed
WO-2020154728-A1 FORMULATIONS CAPABLE OF REACTING WITH OR REMOVAL OF MOLECULAR OXYGEN LI SHENSHEN (US) 2020-07-30 WO disclosed
US-9145415-B2 Nitrogen-containing heterocyclic compound or salt thereof FUJIFILM CORPORATION (JP) 2015-09-29 US disclosed
US-20150045339-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF FUJIFILM CORPORATION (JP) 2015-02-12 US disclosed
WO-1991005804-A1 CATALYSIS OF DIELS-ALDER REACTIONS, METHODS AND CATALYSTS THEREFOR SCRIPPS CLINIC AND RESEARCH FOUNDATION (US) 1991-05-02 WO disclosed
EP-0399351-A2 Epoxy resin and water borne coatings therefrom THE DOW CHEMICAL COMPANY (US) 1990-11-28 EP disclosed
US-4946911-A CONTAINING UNSATURATED IMIDE THE DOW CHEMICAL COMPANY (US) 1990-08-07 US disclosed
US-4847348-A BINDERS, COATINGS THE DOW CHEMICAL COMPANY (US) 1989-07-11 US disclosed
US-4814340-A 1,4-diaryl alkane derivatives having insecticidal and acaricidal activity MITSUI TOATSU CHEMICALS, INC. (JP) 1989-03-21 US disclosed
EP-0299421-A2 Imide modified epoxy resins THE DOW CHEMICAL COMPANY (US) 1989-01-18 EP disclosed
US-4661501-A Certain aryl-alkane-2-pyridyloxy-phenyl derivatives having insecticidal and acaricidal activity MITSUI TOATSU CHEMICALS, INC. (JP) 1987-04-28 US disclosed
US-4209590-A USING AN N-HALOALKYTHIOPHTHALIMIDE AS PROMOTER CHEVRON RESEARCH COMPANY (US) 1980-06-24 US disclosed
US-4006140-A AGING RESISTANCE IMPROVERS FOR VULCANIZABLE RUBBERS THE B. F. GOODRICH COMPANY (US) 1977-02-01 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 (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-20150045339-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF FLT3, NPM1, ABL1 BACE1 4400/4885ALDH1A1 2553/4885TSHR 3784/4885
US-20050159604-A1 Asymmetric hydrogenation of alpha-amino carbonyl compounds CBR1, CBR3, DECR1 BACE1 4038/4885ALDH1A1 2147/4885TSHR 1709/4885

“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.