SCHEMBL1611568

SCHEMBL1611568

Fc1ccc(C2=NOC(c3cccc(C(F)(F)F)c3)(C(F)(F)F)C2)cc1Br

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.34
BACE1 P56817 4/20 0.33
TEAD1 P28347 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
SLC6A4 P31645 3/20 0.32
HDAC6 Q9UBN7 1/20 0.32
ORAI1 Q96D31 1/20 0.31
NPY5R Q15761 1/20 0.31
F2 P00734 1/20 0.31
F10 P00742 1/20 0.31
PRSS1 P07477 1/20 0.31
SLC6A3 Q01959 2/20 0.31
SLC6A2 P23975 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
SCHEMBL1609370 0.90 PDE3B (0.33)
SCHEMBL1610621 0.88 KDM1A (0.36) KDM1ABACE1TEAD1CA1CA2
SCHEMBL1610992 0.87 KDM1A (0.34) KDM1ABACE1CA1CA2SLC6A4
SCHEMBL111131 0.86 TEAD1 (0.34) KDM1ATEAD1CA1CA2SLC6A4
SCHEMBL1609341 0.85 NPY5R (0.40) KDM1ABACE1SLC6A4NPY5R
SCHEMBL1611793 0.84 TEAD1 (0.35) KDM1ABACE1TEAD1HDAC6
SCHEMBL3110578 0.82 NLRP3 (0.39) KDM1ASLC6A4ORAI1SLC6A3SLC6A2
SCHEMBL1611211 0.82 KDM1A (0.40) KDM1ABACE1SLC6A4HDAC6
SCHEMBL1611478 0.82 CA1 (0.32) CA1CA2
SCHEMBL27791817 0.80 SLC6A4 (0.41) KDM1ABACE1SLC6A4ORAI1F2

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 KDM1A 699/4885BACE1 2820/4885TEAD1 4334/4885
US-20100249191-A1 N-Methyl benzamide derivatives GNMT, SCN1A, INA KDM1A 133/4885BACE1 4066/4885TEAD1 4370/4885

“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.