SCHEMBL1609338

SCHEMBL1609338

ON=Cc1ccc(-n2cncn2)c(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 1/20 0.42
ALDH1A1 P00352 6/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
GAA P10253 2/20 0.38
POLB P06746 1/20 0.38
KDM4E B2RXH2 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 2/20 0.38
MAPT P10636 1/20 0.38
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NPFFR1 Q9GZQ6 2/20 0.35
NPFFR2 Q9Y5X5 2/20 0.35
GLA P06280 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
HSD11B1 P28845 1/20 0.33

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
SCHEMBL1609337 1.00 BLM (0.42) BLMALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL14321436 0.83 BLM (0.41) BLMALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL14321448 0.83 ALDH1A1 (0.54) BLMALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL1609796 0.80 ALDH1A1 (0.41) ALDH1A1CYP1A2CYP2C9CYP2C19GAA
SCHEMBL1609795 0.80 ALDH1A1 (0.41) ALDH1A1CYP1A2CYP2C9CYP2C19GAA
SCHEMBL1609905 0.79 ALDH1A1 (0.41) ALDH1A1CYP1A2CYP2C9CYP2C19GAA
SCHEMBL1610075 0.79 KDM4E (0.41) ALDH1A1CYP1A2CYP2C9CYP2C19GAA
SCHEMBL1609906 0.79 ALDH1A1 (0.41) ALDH1A1CYP1A2CYP2C9CYP2C19GAA
SCHEMBL1610077 0.79 KDM4E (0.41) ALDH1A1CYP1A2CYP2C9CYP2C19GAA
SCHEMBL1609782 0.76 POLB (0.38) ALDH1A1CYP1A2CYP2C9CYP2C19GAA

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 BLM 1785/4885ALDH1A1 683/4885CYP1A2 88/4885
US-20100249191-A1 N-Methyl benzamide derivatives GNMT, SCN1A, INA BLM 1412/4885ALDH1A1 691/4885CYP1A2 219/4885

“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.