SCHEMBL1466992

SCHEMBL1466992

COC(=O)c1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1CBr

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.34
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
KDM4E B2RXH2 1/20 0.34
F2 P00734 2/20 0.34
F10 P00742 2/20 0.34
PRSS1 P07477 2/20 0.34
BDKRB1 P46663 2/20 0.33
LTB4R Q15722 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.33
NPC1 O15118 3/20 0.31
RAB9A P51151 3/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
MAPT P10636 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ABL1 P00519 1/20 0.30
NOTUM Q6P988 1/20 0.30

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
SCHEMBL1466504 0.93 PDK2 (0.34) PDK2CA1CA2KDM4EF2
SCHEMBL1799389 0.93 NPC1 (0.36) PDK2CA1CA2KDM4EF2
SCHEMBL1801804 0.91 PDK2 (0.34) PDK2CA1CA2KDM4EF2
SCHEMBL1796305 0.90 PDK2 (0.34) PDK2CA1CA2KDM4EF2
SCHEMBL3457034 0.89 ACLY (0.35) PDK2CA1CA2LTB4RLTB4R2
SCHEMBL1466563 0.89 NOTUM (0.34) PDK2CA1CA2KDM4EF2
SCHEMBL738679 0.88 CA1 (0.37) PDK2CA1CA2KDM4EF2
SCHEMBL2529138 0.88 PDK2 (0.45) PDK2CA1CA2KDM4EF2
SCHEMBL23778641 0.87 KDM4E (0.39) PDK2CA1CA2KDM4EF2
SCHEMBL3108151 0.87 PDK2 (0.36) 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8987464-B2 Isoxazoline-substituted benzamide compound and pesticide NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-03-24 US disclosed
US-20140135496-A1 ISOXAZOLINE-SUBSTITUTED BENZAMIDE COMPOUND AND PESTICIDE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2014-05-15 US disclosed
US-8673951-B2 Isoxazoline-substituted benzamide compound and pesticide NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2014-03-18 US disclosed
US-20110144334-A1 ISOXAZOLINE-SUBSTITUTED BENZAMIDE COMPOUND AND PESTICIDE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2011-06-16 US disclosed
US-7951828-B1 Isoxazoline-substituted benzamide compound and pesticide NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2011-05-31 US disclosed
US-20110071141-A1 Pesticidial Condensed-Ring Aryl Compounds BAYER CROPSCIENCE AG 2011-03-24 US disclosed
US-20110071141-A1 Pesticidial Condensed-Ring Aryl Compounds BAYER CROPSCIENCE AG 2011-03-24 US disclosed
US-20110071141-A1 Pesticidial Condensed-Ring Aryl Compounds BAYER CROPSCIENCE AG 2011-03-24 US disclosed
EP-2254863-A1 PESTICIDAL CONDENSED - RING ARYL COMPOUNDS Bayer CropScience AG (DE) 2010-12-01 EP disclosed
WO-2009112275-A1 PESTICIDAL CONDENSED - RING ARYL COMPOUNDS BAYER CROPSCIENCE AG (DE) 2009-09-17 WO disclosed
WO-2009112275-A1 PESTICIDAL CONDENSED - RING ARYL COMPOUNDS BAYER CROPSCIENCE AG (DE) 2009-09-17 WO disclosed
EP-1932836-A1 ISOXAZOLINE-SUBSTITUTED BENZAMIDE COMPOUND AND HARMFUL ORGANISM-CONTROLLING AGENT Nissan Chemical Industries, Ltd. (JP) 2008-06-18 EP 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 (3 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-20110071141-A1 Pesticidial Condensed-Ring Aryl Compounds DDT, PRDX4, CYP4X1 PDK2 629/4885CA1 2747/4885CA2 2237/4885
US-20110144334-A1 ISOXAZOLINE-SUBSTITUTED BENZAMIDE COMPOUND AND PESTICIDE OR10J3, OR51E2, ORMDL3 PDK2 2976/4885CA1 652/4885CA2 107/4885
US-20140135496-A1 ISOXAZOLINE-SUBSTITUTED BENZAMIDE COMPOUND AND PESTICIDE OR10J3, OR51E2, ODC1 PDK2 2258/4885CA1 1372/4885CA2 342/4885

“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.