SCHEMBL22714373

SCHEMBL22714373

CCOC(=O)C1(C)CC(c2cc([N+](=O)[O-])ccc2Cl)=NO1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ POLB P06746 2/20 0.40
▸ MAPT P10636 5/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ LMNA P02545 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ MTOR P42345 1/20 0.38
▸ GSK3B P49841 1/20 0.38

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
SCHEMBL30899559 1.00 NPSR1 (0.40) NPSR1KDM4EPOLBMAPTALDH1A1
SCHEMBL30899558 0.86 NPC1 (0.37) KDM4EPOLBMAPTALDH1A1SMN1; SMN2
SCHEMBL22714362 0.86 NPC1 (0.37) KDM4EPOLBMAPTALDH1A1SMN1; SMN2
SCHEMBL16950775 0.85 HSD17B10 (0.40) MAPTALDH1A1SMN1; SMN2LMNARAB9A
SCHEMBL22714399 0.85 F10 (0.39) KDM4EMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL30899566 0.85 F10 (0.39) KDM4EMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL21635547 0.84 MAPT (0.38) KDM4EMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL29438157 0.84 MAPT (0.38) KDM4EMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL22714354 0.82 MAPK1 (0.37) KDM4EMAPTSMN1; SMN2MAPK1TDP1
SCHEMBL30899568 0.82 MAPK1 (0.37) KDM4EMAPTSMN1; SMN2MAPK1TDP1

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 8 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

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-20220227744-A1 HERBICIDAL COMPOUNDS DDT, ACHE, GSTO1 NPSR1 2519/4885KDM4E 1194/4885POLB 4108/4885
US-12202821-B2 Herbicidal compounds DDT, ACHE, GSTO1 NPSR1 2519/4885KDM4E 1194/4885POLB 4108/4885

“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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