SCHEMBL1611713

SCHEMBL1611713

N#Cc1cc(/C(Cl)=N/O)ccc1-n1cc([N+](=O)[O-])cn1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.40
LMNA P02545 6/20 0.39
ALDH1A1 P00352 4/20 0.39
GAA P10253 4/20 0.37
MAPT P10636 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
AR P10275 3/20 0.35
VCAM1 P19320 2/20 0.35
F2 P00734 1/20 0.34
PLAU P00749 1/20 0.34
ELANE P08246 1/20 0.34
MAPK1 P28482 1/20 0.33
RECQL P46063 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HTT P42858 1/20 0.32

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
SCHEMBL1611716 1.00 BCHE (0.40) BCHELMNAALDH1A1GAAMAPT
SCHEMBL1611707 0.83 F2 (0.36) LMNAALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL1611706 0.83 F2 (0.36) LMNAALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL1612890 0.82 EGLN1 (0.34)
SCHEMBL1612892 0.82 EGLN1 (0.34)
SCHEMBL1610739 0.80 BCHE (0.41) BCHELMNAALDH1A1GAAMAPT
SCHEMBL1610734 0.80 BCHE (0.41) BCHELMNAALDH1A1GAAMAPT
SCHEMBL1612371 0.76 ALDH1A1 (0.43) BCHELMNAALDH1A1GAAMAPT
SCHEMBL26114330 0.75 F2 (0.43) BCHELMNAALDH1A1GAAMAPT
SCHEMBL23910066 0.73 ALDH1A1 (0.54) BCHELMNAALDH1A1GAAMAPT

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 5 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

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 BCHE 731/4885LMNA 450/4885ALDH1A1 683/4885
US-20100249191-A1 N-Methyl benzamide derivatives GNMT, SCN1A, INA BCHE 506/4885LMNA 208/4885ALDH1A1 691/4885

“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.