SCHEMBL1610658

SCHEMBL1610658

O=[N+]([O-])c1cnn(-c2ccc(C=NO)cc2Br)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.43
ALDH1A1 P00352 7/20 0.43
LMNA P02545 2/20 0.43
KMT2A Q03164 7/20 0.41
MEN1 O00255 6/20 0.41
GAA P10253 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MGAM O43451 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
SLC2A1 P11166 1/20 0.40
KDM4E B2RXH2 3/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
HPGD P15428 2/20 0.37

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
SCHEMBL1610657 1.00 MAPT (0.43) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL1610734 0.82 BCHE (0.41) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL1610739 0.82 BCHE (0.41) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL1611706 0.79 F2 (0.36) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL1611707 0.79 F2 (0.36) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL25300424 0.78 ALDH1A1 (0.40) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL1609222 0.75 SMN1; SMN2 (0.34) ALDH1A1L3MBTL1KDM4ERAB9ASMN1; SMN2
SCHEMBL1609221 0.75 SMN1; SMN2 (0.34) ALDH1A1L3MBTL1KDM4ERAB9ASMN1; SMN2
SCHEMBL1609796 0.71 ALDH1A1 (0.41) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL1609795 0.71 ALDH1A1 (0.41) MAPTALDH1A1LMNAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102731403-A Insecticidal isoxazolines BAYER CROPSCIENCE AG 2012-10-17 CN claimed
EP-2069338-B1 INSECTICIDAL ISOXAZOLINES BAYER CROPSCIENCE AG (DE) 2012-11-28 EP disclosed
CN-102731403-A Insecticidal isoxazolines BAYER CROPSCIENCE AG 2012-10-17 CN disclosed
CN-101522672-B Insecticidal isoxazolines BAYER CROPSCIENCE AG 2012-07-18 CN 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
CN-101522672-A Insecticidal isoxazolines BAYER CROPSCIENCE AG (DE) 2009-09-02 CN 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 MAPT 4845/4885ALDH1A1 683/4885LMNA 450/4885
US-20100249191-A1 N-Methyl benzamide derivatives GNMT, SCN1A, INA MAPT 4838/4885ALDH1A1 691/4885LMNA 208/4885

“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.