SCHEMBL20955347

SCHEMBL20955347

Nc1cc(C2CC(Cl)=NO2)nc(C(=O)O)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.36
CYP3A4 P08684 1/20 0.33
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIK1 P39086 1/20 0.31
GRIA1 P42261 1/20 0.31
GRIA2 P42262 1/20 0.31
GRIA3 P42263 1/20 0.31
GRIA4 P48058 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIK2 Q13002 1/20 0.31
GRIK3 Q13003 1/20 0.31
GRIN2B Q13224 1/20 0.31

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
SCHEMBL28567235 0.99 LMNA (0.37) LMNAKDM4EALDH1A1TP53SMN1; SMN2
SCHEMBL28578629 0.99 LMNA (0.37) LMNAKDM4EALDH1A1TP53SMN1; SMN2
SCHEMBL20981867 0.88 TDP1 (0.35) TDP1CYP3A4
SCHEMBL20955365 0.87 TDP1 (0.34) TDP1CYP3A4
Lithium Ion SCHEMBL20955373 0.87 KDM4E (0.33) LMNAKDM4EALDH1A1TP53SMN1; SMN2
SCHEMBL20955402 0.87 TDP1 (0.34) TDP1CYP3A4
SCHEMBL20955405 0.87 KDM4E (0.33) LMNAKDM4EALDH1A1TP53SMN1; SMN2
SCHEMBL20955536 0.85 NQO2 (0.36) LMNAKDM4EALDH1A1TP53SMN1; SMN2
SCHEMBL20955534 0.84 TSHR (0.35) TDP1
SCHEMBL20955438 0.84 TDP1 (0.32) TDP1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3479696-B1 PYRIDINE-BASED COMPOUND INCLUDING ISOXAZOLINE RING, AND USE THEREOF AS HERBICIDE MOGHU RES CENTER LTD (KR) 2021-06-09 EP claimed
CN-109561682-B Pyridines comprising an isoxazoline ring and their use as herbicides 牧牛研究所株式会社 2021-05-11 CN claimed
US-20190159450-A1 PYRIDINE-BASED COMPOUND INCLUDING ISOXAZOLINE RING AND USE THEREOF AS HERBICIDE MOGHU RESEARCH CENTER LTD. (KR) 2019-05-30 US claimed
EP-3479696-A1 PYRIDINE-BASED COMPOUND INCLUDING ISOXAZOLINE RING, AND USE THEREOF AS HERBICIDE Moghu Research Center Ltd. (KR) 2019-05-08 EP claimed
EP-3479696-B1 PYRIDINE-BASED COMPOUND INCLUDING ISOXAZOLINE RING, AND USE THEREOF AS HERBICIDE MOGHU RES CENTER LTD (KR) 2021-06-09 EP disclosed
CN-109561682-B Pyridines comprising an isoxazoline ring and their use as herbicides 牧牛研究所株式会社 2021-05-11 CN disclosed
US-20190159450-A1 PYRIDINE-BASED COMPOUND INCLUDING ISOXAZOLINE RING AND USE THEREOF AS HERBICIDE MOGHU RESEARCH CENTER LTD. (KR) 2019-05-30 US disclosed
US-20190159450-A1 PYRIDINE-BASED COMPOUND INCLUDING ISOXAZOLINE RING AND USE THEREOF AS HERBICIDE MOGHU RESEARCH CENTER LTD. (KR) 2019-05-30 US disclosed
EP-3479696-A1 PYRIDINE-BASED COMPOUND INCLUDING ISOXAZOLINE RING, AND USE THEREOF AS HERBICIDE Moghu Research Center Ltd. (KR) 2019-05-08 EP 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-20190159450-A1 PYRIDINE-BASED COMPOUND INCLUDING ISOXAZOLINE RING AND USE THEREOF AS HERBICIDE CYP4X1, CYP3A7, IDH2 LMNA 4732/4885KDM4E 861/4885ALDH1A1 86/4885

“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.