SCHEMBL1611706

SCHEMBL1611706

O=[N+]([O-])c1cnn(-c2ccc(/C(Cl)=N/O)cc2Br)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.36
PLAU P00749 3/20 0.36
ELANE P08246 3/20 0.36
MAPT P10636 4/20 0.35
ALDH1A1 P00352 4/20 0.35
RXFP1 Q9HBX9 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
LMNA P02545 2/20 0.34
MAPK1 P28482 2/20 0.34
RECQL P46063 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HIF1A Q16665 3/20 0.33
HTT P42858 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
KLKB1 P03952 1/20 0.33

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
SCHEMBL1611707 1.00 F2 (0.36) F2PLAUELANEMAPTALDH1A1
SCHEMBL1611713 0.83 BCHE (0.40) F2PLAUELANEMAPTALDH1A1
SCHEMBL1611716 0.83 BCHE (0.40) F2PLAUELANEMAPTALDH1A1
SCHEMBL25300424 0.79 ALDH1A1 (0.40) F2PLAUELANEMAPTALDH1A1
SCHEMBL1610657 0.79 MAPT (0.43) MAPTALDH1A1RXFP1MEN1KMT2A
SCHEMBL1610658 0.79 MAPT (0.43) MAPTALDH1A1RXFP1MEN1KMT2A
SCHEMBL1612258 0.71 CYP1A2 (0.40) MAPTALDH1A1RXFP1MEN1KMT2A
SCHEMBL1612257 0.71 CYP1A2 (0.40) MAPTALDH1A1RXFP1MEN1KMT2A
SCHEMBL10348148 0.68 PKM (0.49) F2PLAUELANEMAPTALDH1A1
SCHEMBL2299963 0.67 ALDH1A1 (0.62) PLAUALDH1A1LMNAMAPK1TDP1

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
EP-2069338-B1 INSECTICIDAL ISOXAZOLINES BAYER CROPSCIENCE AG (DE) 2012-11-28 EP disclosed
EP-2332937-A1 Insecticidal isoxazolines Bayer CropScience AG (DE) 2011-06-15 EP disclosed
EP-2330106-A1 Insecticidal isoxazolines Bayer CropScience AG (DE) 2011-06-08 EP disclosed
US-20110086886-A2 INSECTICIDAL ISOXAZOLINES BAYER CROPSCIENCE AG (DE) 2011-04-14 US disclosed
US-20100249191-A1 N-Methyl benzamide derivatives BAYER CROPSCIENCE SA (FR) 2010-09-30 US disclosed
EP-2069338-A1 INSECTICIDAL ISOXAZOLINES Bayer CropScience AG (DE) 2009-06-17 EP disclosed
WO-2008019760-A1 INSECTICIDAL ISOXAZOLINES BAYER CROPSCIENCE AG (DE) 2008-02-21 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-20110086886-A2 INSECTICIDAL ISOXAZOLINES HAX1, INA, CYCS F2 2537/4885PLAU 4798/4885ELANE 837/4885
US-20100249191-A1 N-Methyl benzamide derivatives GNMT, SCN1A, INA F2 4170/4885PLAU 4812/4885ELANE 774/4885

“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.