SCHEMBL21990702

SCHEMBL21990702

O=C1c2ccc(F)cc2C(=O)N1c1cc2c(cc1F)OC1(CC1)C(=O)N2CC#CI

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 2/20 0.37
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
GRM1 Q13255 1/20 0.31
GRM4 Q14833 1/20 0.31
PARK7 Q99497 1/20 0.30

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
SCHEMBL30799095 1.00 NR3C2 (0.37) NR3C2ESR1ESR2DDB1CRBN
SCHEMBL20693122 0.91 NR3C2 (0.39) NR3C2ESR1ESR2GRM1GRM4
SCHEMBL22039645 0.89 NR3C2 (0.38) NR3C2ESR1ESR2DDB1CRBN
SCHEMBL20693054 0.85 NR3C2 (0.39) NR3C2ESR1ESR2GRM1GRM4
SCHEMBL20693099 0.84 NR3C2 (0.38) NR3C2ESR1ESR2PARK7
SCHEMBL20693056 0.83 NR3C2 (0.36) NR3C2ESR1ESR2DDB1CRBN
SCHEMBL20692955 0.83 NR3C2 (0.32) NR3C2
SCHEMBL20692968 0.82 NR3C2 (0.35) NR3C2ESR1ESR2DDB1CRBN
SCHEMBL20693057 0.82 S1PR4 (0.37) NR3C2ESR1ESR2GRM1GRM4
SCHEMBL22039642 0.82 OPRL1 (0.37) NR3C2ESR1ESR2DDB1CRBN

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111132979-B Benzoxazinone derivatives as herbicides 瑞戴格作物保护公司 2024-03-26 CN disclosed
US-11261177-B2 Benzoxazinone derivatives useful as herbicides REDAG CROP PROTECTION LTD (GB) 2022-03-01 US disclosed
EP-3658551-B1 BENZOXAZINONE DERIVATIVES USEFUL AS HERBICIDES REDAG CROP PROT LTD (GB) 2022-01-19 EP disclosed
EP-3658551-B1 BENZOXAZINONE DERIVATIVES USEFUL AS HERBICIDES REDAG CROP PROT LTD (GB) 2022-01-19 EP disclosed
US-20200172527-A1 BENZOXAZINONE DERIVATIVES USEFUL AS HERBICIDES REDAG CROP PROT LTD (GB) 2020-06-04 US disclosed
US-20200172527-A1 BENZOXAZINONE DERIVATIVES USEFUL AS HERBICIDES REDAG CROP PROT LTD (GB) 2020-06-04 US disclosed
CN-111132979-A Benzoxazinone derivatives as herbicides 瑞戴格作物保护公司 2020-05-08 CN 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-20200172527-A1 BENZOXAZINONE DERIVATIVES USEFUL AS HERBICIDES CBR3, CBR1, CYP4X1 NR3C2 450/4885ESR1 973/4885ESR2 823/4885
US-11261177-B2 Benzoxazinone derivatives useful as herbicides CBR3, CYP4X1, DDT NR3C2 358/4885ESR1 938/4885ESR2 783/4885

“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.