SCHEMBL22714362

SCHEMBL22714362

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.37
▸ POLB P06746 1/20 0.36
▸ VCAM1 P19320 1/20 0.36
▸ THRB P10828 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ MTOR P42345 1/20 0.35
▸ MAPT P10636 5/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ CHEK2 O96017 2/20 0.35
▸ RPS6KA3 P51812 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ LMNA P02545 2/20 0.34
▸ PKM P14618 1/20 0.34
▸ CRHBP P24387 1/20 0.34
▸ CRHR2 Q13324 1/20 0.34

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
SCHEMBL30899558 1.00 NPC1 (0.37) NPC1POLBVCAM1THRBMEN1
SCHEMBL29438157 0.91 MAPT (0.38) NPC1VCAM1MEN1RAB9AKMT2A
SCHEMBL21635547 0.91 MAPT (0.38) NPC1VCAM1MEN1RAB9AKMT2A
SCHEMBL22714373 0.86 NPSR1 (0.40) NPC1POLBMEN1RAB9AKMT2A
SCHEMBL30899559 0.86 NPSR1 (0.40) NPC1POLBMEN1RAB9AKMT2A
SCHEMBL30899560 0.83 F10 (0.40) NPC1MEN1RAB9AKMT2AMAPK1
SCHEMBL22714488 0.83 F10 (0.40) NPC1MEN1RAB9AKMT2AMAPK1
SCHEMBL29055133 0.80 MAPT (0.35) NPC1POLBMEN1RAB9AKMT2A
SCHEMBL22714402 0.79 CA1 (0.33) SMN1; SMN2
SCHEMBL30899556 0.79 CA1 (0.33) SMN1; SMN2

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 NPC1 3704/4885POLB 4108/4885VCAM1 4848/4885
US-12202821-B2 Herbicidal compounds DDT, ACHE, GSTO1 NPC1 3704/4885POLB 4108/4885VCAM1 4848/4885

“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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