SCHEMBL1609779

SCHEMBL1609779

N#Cc1cc(/C=N\O)ccc1-n1cncn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.38
GAA P10253 1/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
S1PR3 Q99500 1/20 0.34
P2RX3 P56373 1/20 0.33
P2RX2 Q9UBL9 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP19A1 P11511 6/20 0.33
FBP1 P09467 1/20 0.32
HTT P42858 2/20 0.32
ALOX5AP P20292 1/20 0.32
PKM P14618 1/20 0.32
HSP90AA1 P07900 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL1609782 1.00 POLB (0.38) POLBGAAKDM4EALDH1A1SMN1; SMN2
SCHEMBL14321468 0.83 KDM4E (0.40) KDM4EALDH1A1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL12536230 0.83 KDM4E (0.40) KDM4EALDH1A1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL1610377 0.83 ALDH1A1 (0.54) GAAKDM4EALDH1A1SMN1; SMN2CYP1A2
SCHEMBL1609795 0.80 ALDH1A1 (0.41) POLBGAAKDM4EALDH1A1SMN1; SMN2
SCHEMBL1609796 0.80 ALDH1A1 (0.41) POLBGAAKDM4EALDH1A1SMN1; SMN2
SCHEMBL1875229 0.80 SLC22A12 (0.46) POLBGAAKDM4EALDH1A1SMN1; SMN2
SCHEMBL1875226 0.80 SLC22A12 (0.46) POLBGAAKDM4EALDH1A1SMN1; SMN2
SCHEMBL1609906 0.79 ALDH1A1 (0.41) POLBGAAKDM4EALDH1A1SMN1; SMN2
SCHEMBL1609905 0.79 ALDH1A1 (0.41) POLBGAAKDM4EALDH1A1SMN1; SMN2

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 9 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-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
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 POLB 3353/4885GAA 3387/4885KDM4E 1969/4885
US-20100249191-A1 N-Methyl benzamide derivatives GNMT, SCN1A, INA POLB 2552/4885GAA 2937/4885KDM4E 583/4885

“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.