SCHEMBL21996091

SCHEMBL21996091

NCc1cc([N+](=O)[O-])ccc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
HIF1A Q16665 1/20 0.56
LOXL2 Q9Y4K0 1/20 0.50
TDP1 Q9NUW8 3/20 0.44
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
MCL1 Q07820 1/20 0.43
CYP3A4 P08684 2/20 0.43
POLB P06746 2/20 0.43
HTT P42858 2/20 0.43
TSHR P16473 3/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 2/20 0.42
THRB P10828 2/20 0.42
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42

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
SCHEMBL31156747 0.87 ALDH1A1 (0.55) ALDH1A1HIF1ALOXL2TDP1KDM4E
SCHEMBL18041343 0.87 ALDH1A1 (0.55) ALDH1A1HIF1ALOXL2TDP1KDM4E
SCHEMBL29673195 0.85 ALDH1A1 (0.52) ALDH1A1HIF1ALOXL2TDP1KMT2A
SCHEMBL5001384 0.85 ALDH1A1 (0.52) ALDH1A1HIF1ALOXL2TDP1KMT2A
Hydrochloric Acid SCHEMBL20766281 0.84 ALDH1A1 (0.50) ALDH1A1HIF1ALOXL2TDP1KMT2A
SCHEMBL15076454 0.83 ALDH1A1 (0.58) ALDH1A1HIF1ATDP1KDM4EMEN1
SCHEMBL12955135 0.83 ALDH1A1 (0.58) ALDH1A1HIF1ATDP1MEN1MAPT
SCHEMBL2062221 0.82 LOXL2 (0.55) ALDH1A1LOXL2TDP1KDM4EMEN1
SCHEMBL377336 0.81 ALDH1A1 (0.56) ALDH1A1HIF1AMEN1MAPTKMT2A
SCHEMBL20560276 0.81 ALDH1A1 (0.56) ALDH1A1HIF1ATDP1MEN1MAPT

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 1035/4885HIF1A 2369/4885LOXL2 1457/4885

“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.