SCHEMBL58726

SCHEMBL58726

CC(C)(C)c1ccccc1N=C=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.52
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
ALDH1A1 P00352 4/20 0.40
TDP1 Q9NUW8 3/20 0.40
TSHR P16473 1/20 0.40
PLA2G1B P04054 1/20 0.38
MAPT P10636 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
TRPA1 O75762 1/20 0.37
CA2 P00918 1/20 0.37
GABRA1 P14867 2/20 0.35
GABRB2 P47870 2/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL31318368 1.00 CYP3A4 (0.52) CYP3A4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6544263 0.88 CYP3A4 (0.52) CYP3A4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL11421834 0.83 GRIN2D (0.43) CYP3A4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6704455 0.82 CYP3A4 (0.47) CYP3A4ALDH1A1TDP1TRPA1GABRA1
SCHEMBL8103470 0.81 CYP3A4 (0.46) CYP3A4ALDH1A1TDP1TRPA1GABRA1
SCHEMBL11280548 0.80 CYP3A4 (0.44) CYP3A4ALDH1A1TDP1TRPA1GABRA1
SCHEMBL10624633 0.79 CYP3A4 (0.47) CYP3A4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2698868 0.79 ALDH1A1 (0.47) CYP3A4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL29648814 0.79 CYP3A4 (0.47) CYP3A4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1769086 0.79 CYP3A4 (0.47) CYP3A4ALDH1A1TDP1TSHRTRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119285502-A Free radical self-release antifouling agent containing oxime urethane group and preparation method and application thereof 哈尔滨工程大学 2025-01-10 CN claimed
CN-116525948-A Method for inhibiting corrosion of aluminum foil of lithium battery current collector based on isocyanate additive 临沂大学 2023-08-01 CN claimed
CN-115386245-A Preparation method and application of lipophilic carbon nitride nanosheet 浙江理工大学 2022-11-25 CN claimed
US-20090216006-A1 COVALENTLY BOUND POLYSACCHARIDE-BASED CHIRAL STATIONARY PHASES AND METHOD FOR THEIR PREPARATION XU HUI 2009-08-27 US claimed
EP-1377589-B1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2005-09-07 EP claimed
US-20240216355-A1 PHARMACEUTICAL COMPOSITIONS FOR USE IN THE PREVENTION AND TREATMENT OF A DISEASE OR DISORDER CAUSED BY OR ASSOCIATED WITH ONE OR MORE PREMATURE TERMINATION CODONS MONTE ROSA THERAPEUTICS AG (CH) 2024-07-04 US disclosed
EP-4313047-A1 PHARMACEUTICAL COMPOSITIONS FOR USE IN THE PREVENTION AND TREATMENT OF A DISEASE OR DISORDER CAUSED BY OR ASSOCIATED WITH ONE OR MORE PREMATURE TERMINATION CODONS Monte Rosa Therapeutics, Inc. (US) 2024-02-07 EP disclosed
CN-116949813-A Thermoplastic sizing agent and preparation method thereof 中复神鹰碳纤维股份有限公司 2023-10-27 CN disclosed
EP-3661921-B1 SELECTIVE INHIBITORS OF NLRP3 INFLAMMASOME NODTHERA LTD (GB) 2023-10-18 EP disclosed
CN-116525948-A Method for inhibiting corrosion of aluminum foil of lithium battery current collector based on isocyanate additive 临沂大学 2023-08-01 CN disclosed
WO-2022200857-A1 PHARMACEUTICAL COMPOSITIONS FOR USE IN THE PREVENTION AND TREATMENT OF A DISEASE OR DISORDER CAUSED BY OR ASSOCIATED WITH ONE OR MORE PREMATURE TERMINATION CODONS MONTE ROSA THERAPEUTICS AG (CH) 2022-09-29 WO disclosed
EP-4041231-A1 ISOINDOLINONE COMPOUNDS Monte Rosa Therapeutics AG (CH) 2022-08-17 EP disclosed
CN-1538960-A Amino-2, 3-naphthyridinone derivatives as kinase inhibitors, process for their preparation and pharmaceutical compositions containing them 2004-10-20 CN disclosed
WO-2004071507-A1 TETRACYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA S.P.A. (IT) 2004-08-26 WO disclosed
EP-1435948-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2004-07-14 EP disclosed
WO-2003013517-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2003-02-20 WO disclosed
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 US disclosed
EP-0271914-B1 POLYESTERAMIDE WITH IMPROVED COMPRESSION SET THE DOW CHEMICAL COMPANY (US) 1992-01-08 EP disclosed
US-4772649-A Polyesteramide and sufficient carbodiimide to impart improved compression set THE DOW CHEMICAL COMPANY (US) 1988-09-20 US disclosed
EP-0271914-A2 Polyesteramide with improved compression set THE DOW CHEMICAL COMPANY (US) 1988-06-22 EP 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-20240216355-A1 PHARMACEUTICAL COMPOSITIONS FOR USE IN THE PREVENTION AND TREATMENT OF A DISEASE OR DISORDER CAUSED BY OR ASSOCIATED WITH ONE OR MORE PREMATURE TERMINATION CODONS UPF1, NSUN2, RTF2 CYP3A4 3128/4885GRIN2D 4221/4885GRIN3B 3210/4885

“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.