SCHEMBL21635547

SCHEMBL21635547

CCOC(=O)C1(C)CC(c2cc([N+](=O)[O-])c(F)cc2Cl)=NO1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ GPR174 Q9BXC1 2/20 0.35
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ MTOR P42345 1/20 0.34
▸ MAPK1 P28482 2/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ ITGB1 P05556 1/20 0.33
▸ ITGA4 P13612 1/20 0.33
▸ KCNMA1 Q12791 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33

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
SCHEMBL29438157 1.00 MAPT (0.38) MAPTMEN1KMT2ACYP1A2CYP2C9
SCHEMBL22714362 0.91 NPC1 (0.37) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL30899558 0.91 NPC1 (0.37) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL25061603 0.87 MAPT (0.38) MAPTMEN1KMT2ACYP1A2CYP2C9
SCHEMBL22714353 0.86 CA1 (0.41) MAPTCA1CA2ALDH1A1NPC1
SCHEMBL29438166 0.86 CA1 (0.41) MAPTCA1CA2ALDH1A1NPC1
SCHEMBL25061604 0.85 MAPT (0.38) MAPTMEN1KMT2ACYP1A2CYP2C9
SCHEMBL24485235 0.85 CA1 (0.42) MEN1KMT2ACA1CA2ALDH1A1
SCHEMBL29712909 0.85 CA1 (0.42) MEN1KMT2ACA1CA2ALDH1A1
SCHEMBL29055133 0.85 MAPT (0.35) MAPTMEN1KMT2ACYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12202821-B2 Herbicidal compounds SYNGENTA CROP PROTECTION AG (CH) 2025-01-21 — — US disclosed
CN-118084888-A Herbicidal compounds 先正达农作物保护股份公司 2024-05-28 — — CN disclosed
CN-113874368-B Herbicidal compounds 先正达农作物保护股份公司 2024-03-08 — — CN disclosed
EP-3976603-B1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2023-11-15 — — EP disclosed
EP-3976603-B1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2023-11-15 — — EP disclosed
US-20220227744-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2022-07-21 — — US disclosed
EP-3976603-A1 HERBICIDAL COMPOUNDS Syngenta Crop Protection AG (CH) 2022-04-06 — — EP disclosed
CN-113880774-A Preparation method of phenyl isoxazoline compound 沈阳中化农药化工研发有限公司 2022-01-04 — — CN disclosed
CN-113874368-A Herbicidal compounds 先正达农作物保护股份公司 2021-12-31 — — CN disclosed
CN-112745305-A Triazinone compound and application thereof 沈阳中化农药化工研发有限公司 2021-05-04 — — CN disclosed
WO-2020239607-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2020-12-03 — — WO disclosed
WO-2020239607-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2020-12-03 — — WO disclosed
CN-105753853-B Isoxazoline-containing uracil compound and application thereof 沈阳中化农药化工研发有限公司 2020-08-04 — — CN disclosed
CN-106536517-B Isoxazoline-containing uracil compound and application thereof 沈阳中化农药化工研发有限公司 2020-03-17 — — CN disclosed
US-10550111-B2 Pyrimidine urea compound containing isoxazolines and use thereof SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) 2020-02-04 — — 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 (3 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-10550111-B2 Pyrimidine urea compound containing isoxazolines and use thereof DDX6, OAT, DHX36 MAPT 1284/4885MEN1 4846/4885KMT2A 816/4885
US-20220227744-A1 HERBICIDAL COMPOUNDS DDT, ACHE, GSTO1 MAPT 4021/4885MEN1 3365/4885KMT2A 1038/4885
US-12202821-B2 Herbicidal compounds DDT, ACHE, GSTO1 MAPT 4021/4885MEN1 3365/4885KMT2A 1038/4885

“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.

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