SCHEMBL1609221

SCHEMBL1609221

N#Cc1cnn(-c2ccc(/C=N/O)cc2Br)c1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.34
RAB9A P51151 1/20 0.34
AMY1A P0DUB6 1/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HTT P42858 1/20 0.32
GRM5 P41594 2/20 0.30
MAPK1 P28482 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL1609222 1.00 SMN1; SMN2 (0.34) SMN1; SMN2RAB9AAMY1AALDH1A1KDM4E
SCHEMBL1609800 0.86 KDM4E (0.33) ALDH1A1KDM4EL3MBTL1HTTGRM5
SCHEMBL1609801 0.86 KDM4E (0.33) ALDH1A1KDM4EL3MBTL1HTTGRM5
SCHEMBL18797548 0.77 SCN9A (0.33) KDM4EL3MBTL1HTTGRM5
SCHEMBL31734521 0.77 HTT (0.32) HTTGRM5
SCHEMBL1610658 0.75 MAPT (0.43) SMN1; SMN2RAB9AALDH1A1KDM4EL3MBTL1
SCHEMBL1610657 0.75 MAPT (0.43) SMN1; SMN2RAB9AALDH1A1KDM4EL3MBTL1
SCHEMBL1609796 0.72 ALDH1A1 (0.41) SMN1; SMN2RAB9AAMY1AALDH1A1KDM4E
SCHEMBL1609795 0.72 ALDH1A1 (0.41) SMN1; SMN2RAB9AAMY1AALDH1A1KDM4E
SCHEMBL4460639 0.69 EGLN1 (0.32) SMN1; SMN2ALDH1A1

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 SMN1; SMN2 3144/4885RAB9A 1157/4885AMY1A 1036/4885
US-20100249191-A1 N-Methyl benzamide derivatives GNMT, SCN1A, INA SMN1; SMN2 2709/4885RAB9A 1341/4885AMY1A 2104/4885

“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.