SCHEMBL21635540

SCHEMBL21635540

CC1(CO)CC(c2cc([N+](=O)[O-])c(F)cc2Cl)=NO1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ESPL1 Q14674 1/20 0.37
▸ MAPT P10636 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ PGR P06401 2/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ AKR1B1 P15121 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CRBN Q96SW2 2/20 0.31
▸ HSD11B1 P28845 1/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HIF1A Q16665 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ S1PR4 O95977 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
SCHEMBL25166774 0.86 AKR1B1 (0.36) ESPL1MAPTLMNAHTTPGR
SCHEMBL29438153 0.86 MAPT (0.36) ESPL1MAPTLMNAHTTPGR
SCHEMBL22714339 0.86 MAPT (0.36) ESPL1MAPTLMNAHTTPGR
SCHEMBL28363043 0.83 MAPT (0.37) MAPTLMNAPGRALDH1A1MEN1
SCHEMBL29438166 0.82 CA1 (0.41) ESPL1MAPTLMNAHTTPGR
SCHEMBL22714353 0.82 CA1 (0.41) ESPL1MAPTLMNAHTTPGR
SCHEMBL21635547 0.81 MAPT (0.38) MAPTLMNACA1CA2RAB9A
SCHEMBL29438157 0.81 MAPT (0.38) MAPTLMNACA1CA2RAB9A
SCHEMBL21635544 0.80 CA1 (0.32) CA1CA2CRBN
SCHEMBL25061603 0.79 MAPT (0.38) MAPTAKR1B1RAB9ANPC1ALDH1A1

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 11 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
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-113874368-A Herbicidal compounds 先正达农作物保护股份公司 2021-12-31 — — CN 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 ESPL1 3644/4885MAPT 1284/4885LMNA 4541/4885
US-20220227744-A1 HERBICIDAL COMPOUNDS DDT, ACHE, GSTO1 ESPL1 4307/4885MAPT 4021/4885LMNA 3760/4885
US-12202821-B2 Herbicidal compounds DDT, ACHE, GSTO1 ESPL1 4307/4885MAPT 4021/4885LMNA 3760/4885

“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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