SCHEMBL21996063

SCHEMBL21996063

O=C(NCc1cc([N+](=O)[O-])ccc1Cl)C1CC1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.58
▸ KMT2A Q03164 4/20 0.58
▸ MEN1 O00255 3/20 0.58
▸ MAPT P10636 2/20 0.58
▸ LMNA P02545 3/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ CTDSP1 Q9GZU7 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ GAA P10253 1/20 0.49
▸ NAMPT P43490 1/20 0.49
▸ EPHX2 P34913 3/20 0.48
▸ THRB P10828 1/20 0.47
▸ PLA2G1B P04054 2/20 0.46
▸ ATG4B Q9Y4P1 2/20 0.46
▸ PKM P14618 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL30799252 1.00 ALDH1A1 (0.58) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL7500051 0.81 KMT2A (0.59) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL2635463 0.79 ERCC1 (0.55) ALDH1A1KMT2AMAPTLMNAKDM4E
SCHEMBL4534162 0.78 NPBWR1 (0.54) ALDH1A1KMT2AMEN1LMNAKDM4E
SCHEMBL21995910 0.78 EPHX2 (0.49) ALDH1A1LMNAGAAEPHX2THRB
SCHEMBL30799454 0.78 EPHX2 (0.49) ALDH1A1LMNAGAAEPHX2THRB
SCHEMBL29274465 0.77 NAMPT (0.60) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL15541463 0.76 MAPT (0.55) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL2467120 0.75 NPC1 (0.66) ALDH1A1KMT2AMEN1LMNAKDM4E
SCHEMBL3093689 0.75 EPHX2 (0.49) ALDH1A1KMT2ALMNAKDM4EGAA

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-117603014-A Meta-diamide compounds for controlling invertebrate pests FMC公司 2024-02-27 — — CN disclosed
EP-4183766-A1 INTERMEDIATES FOR THE PREPARATION OF META-DIAMIDE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS FMC Corporation (US) 2023-05-24 — — EP disclosed
EP-3887354-B1 META-DIAMIDE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS FMC CORP (US) 2023-01-04 — — EP disclosed
US-20210400977-A1 META-DIAMIDE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS FMC CORPORATION 2021-12-30 — — US disclosed
EP-3887354-A1 META-DIAMIDE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS FMC Corporation (US) 2021-10-06 — — EP disclosed
CN-113454065-A Metadiamide compounds for controlling invertebrate pests FMC公司 2021-09-28 — — CN disclosed
WO-2020112390-A1 META-DIAMIDE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS FMC CORPORATION (US) 2020-06-04 — — 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 (1 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-20210400977-A1 META-DIAMIDE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS DDT, RDX, ACHE ALDH1A1 1035/4885KMT2A 752/4885MEN1 486/4885

“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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