SCHEMBL1609800

SCHEMBL1609800

N#Cc1cnn(-c2ccc(/C=N\O)cc2C#N)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
EGLN1 Q9GZT9 1/20 0.32
GRM2 Q14416 1/20 0.31
GRM5 P41594 2/20 0.31
POLB P06746 1/20 0.31
PKM P14618 1/20 0.31
HTT P42858 1/20 0.31
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
RIPK1 Q13546 1/20 0.30
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30
GRIN2B Q13224 1/20 0.30
GRIN2C Q14957 1/20 0.30
GRIN3A Q8TCU5 1/20 0.30
MEN1 O00255 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
SCHEMBL1609801 1.00 KDM4E (0.33) KDM4EALDH1A1L3MBTL1EGLN1GRM2
SCHEMBL1609222 0.86 SMN1; SMN2 (0.34) KDM4EALDH1A1L3MBTL1GRM5HTT
SCHEMBL1609221 0.86 SMN1; SMN2 (0.34) KDM4EALDH1A1L3MBTL1GRM5HTT
SCHEMBL4460639 0.84 EGLN1 (0.32) ALDH1A1EGLN1GRM2MAPTMEN1
SCHEMBL1610739 0.81 BCHE (0.41) ALDH1A1L3MBTL1HTTLMNAMAPT
SCHEMBL1610734 0.81 BCHE (0.41) ALDH1A1L3MBTL1HTTLMNAMAPT
SCHEMBL1609779 0.77 POLB (0.38) KDM4EALDH1A1L3MBTL1POLBPKM
SCHEMBL1609782 0.77 POLB (0.38) KDM4EALDH1A1L3MBTL1POLBPKM
SCHEMBL1612892 0.77 EGLN1 (0.34) EGLN1GRM2
SCHEMBL1612890 0.77 EGLN1 (0.34) EGLN1GRM2

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 KDM4E 1969/4885ALDH1A1 683/4885L3MBTL1 114/4885
US-20100249191-A1 N-Methyl benzamide derivatives GNMT, SCN1A, INA KDM4E 583/4885ALDH1A1 691/4885L3MBTL1 74/4885

“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.