SCHEMBL3108151

SCHEMBL3108151

COC(=O)c1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.36
BDKRB1 P46663 4/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
KDM4E B2RXH2 1/20 0.35
F2 P00734 1/20 0.34
F10 P00742 1/20 0.34
PRSS1 P07477 1/20 0.34
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
MAPT P10636 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MIF P14174 1/20 0.32
ABL1 P00519 1/20 0.32
NAAA Q02083 1/20 0.32
NOTUM Q6P988 1/20 0.32

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
SCHEMBL2529138 0.91 PDK2 (0.45) PDK2BDKRB1CA1CA2KDM4E
SCHEMBL23778641 0.90 KDM4E (0.39) PDK2BDKRB1CA1CA2KDM4E
SCHEMBL362563 0.90 KDM4E (0.39) PDK2BDKRB1CA1CA2KDM4E
SCHEMBL3659569 0.90 PDK2 (0.35) PDK2CA1CA2KDM4EF2
SCHEMBL738679 0.89 CA1 (0.37) PDK2BDKRB1CA1CA2KDM4E
SCHEMBL738428 0.89 NOTUM (0.39) PDK2CA1CA2KDM4EF2
SCHEMBL11960920 0.89 ABL1 (0.44) PDK2CA1CA2KDM4EF2
SCHEMBL738671 0.89 PDK2 (0.36) PDK2BDKRB1CA1CA2KDM4E
SCHEMBL1799389 0.89 NPC1 (0.36) PDK2BDKRB1CA1CA2KDM4E
SCHEMBL1468195 0.88 KDM4E (0.37) PDK2CA1CA2KDM4EF2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8372867-B2 Insecticidal aryl isoxazoline derivatives BAYER CROPSCIENCE AG (DE) 2013-02-12 US disclosed
US-20100179194-A1 INSECTICIDAL ARYL ISOXAZOLINE DERIVATIVES BAYER CORPSCIENCE AG (DE) 2010-07-15 US disclosed
EP-2181100-A2 INSECTICIDAL ARYL ISOXAZOLINE DERIVATIVES Bayer CropScience AG (DE) 2010-05-05 EP disclosed
WO-2008122375-A2 INSECTICIDAL ARYL ISOXAZOLINE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2008-10-16 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 (1 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-20100179194-A1 INSECTICIDAL ARYL ISOXAZOLINE DERIVATIVES CYP4X1, AADAC, CYP3A7 PDK2 625/4885BDKRB1 2500/4885CA1 4328/4885

“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.