SCHEMBL1609796

SCHEMBL1609796

ON=Cc1ccc(-n2cncn2)c(Br)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 2/20 0.41
POLB P06746 2/20 0.41
GAA P10253 1/20 0.41
AMY1A P0DUB6 1/20 0.39
RAB9A P51151 1/20 0.39
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP3A4 P08684 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
FBP1 P09467 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 2/20 0.33
NPFFR1 Q9GZQ6 2/20 0.33
NPFFR2 Q9Y5X5 2/20 0.33
LMNA P02545 1/20 0.33
HSP90AA1 P07900 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
SCHEMBL1609795 1.00 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2KDM4EPOLBGAA
SCHEMBL1610075 0.84 KDM4E (0.41) ALDH1A1SMN1; SMN2KDM4EPOLBGAA
SCHEMBL1609905 0.84 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2KDM4EPOLBGAA
SCHEMBL1610077 0.84 KDM4E (0.41) ALDH1A1SMN1; SMN2KDM4EPOLBGAA
SCHEMBL1609906 0.84 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2KDM4EPOLBGAA
SCHEMBL14321689 0.81 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2KDM4EPOLBGAA
SCHEMBL14321219 0.81 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2KDM4ECYP1A2CYP2C9
SCHEMBL1609338 0.80 BLM (0.42) ALDH1A1SMN1; SMN2KDM4EPOLBGAA
SCHEMBL1609782 0.80 POLB (0.38) ALDH1A1SMN1; SMN2KDM4EPOLBGAA
SCHEMBL1609337 0.80 BLM (0.42) ALDH1A1SMN1; SMN2KDM4EPOLBGAA

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 ALDH1A1 683/4885SMN1; SMN2 3144/4885KDM4E 1969/4885
US-20100249191-A1 N-Methyl benzamide derivatives GNMT, SCN1A, INA ALDH1A1 691/4885SMN1; SMN2 2709/4885KDM4E 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.