SCHEMBL1796306

SCHEMBL1796306

COC(=O)c1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1C(C)(C)N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.36
KDM4E B2RXH2 2/20 0.35
PDK2 Q15119 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
F2 P00734 3/20 0.34
F10 P00742 3/20 0.34
PRSS1 P07477 3/20 0.34
ABL1 P00519 1/20 0.32
NPC1 O15118 2/20 0.31
MAPT P10636 2/20 0.31
RAB9A P51151 2/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CASP3 P42574 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 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
SCHEMBL738428 0.92 NOTUM (0.39) NOTUMKDM4EPDK2CA1CA2
SCHEMBL1795773 0.91 CA1 (0.34) NOTUMPDK2CA1CA2F2
SCHEMBL11960920 0.88 ABL1 (0.44) KDM4EPDK2CA1CA2F2
SCHEMBL2529138 0.88 PDK2 (0.45) NOTUMKDM4EPDK2CA1CA2
SCHEMBL23778641 0.87 KDM4E (0.39) NOTUMKDM4EPDK2CA1CA2
SCHEMBL3108151 0.87 PDK2 (0.36) NOTUMKDM4EPDK2CA1CA2
SCHEMBL362563 0.87 KDM4E (0.39) NOTUMKDM4EPDK2CA1CA2
SCHEMBL23784620 0.86 NOTUM (0.37) NOTUMKDM4EPDK2CA1CA2
SCHEMBL738671 0.86 PDK2 (0.36) NOTUMKDM4EPDK2CA1CA2
SCHEMBL738679 0.86 CA1 (0.37) NOTUMKDM4EPDK2CA1CA2

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 5 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

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-20110144334-A1 ISOXAZOLINE-SUBSTITUTED BENZAMIDE COMPOUND AND PESTICIDE OR10J3, OR51E2, ORMDL3 NOTUM 223/4885KDM4E 3581/4885PDK2 2976/4885
US-20140135496-A1 ISOXAZOLINE-SUBSTITUTED BENZAMIDE COMPOUND AND PESTICIDE OR10J3, OR51E2, ODC1 NOTUM 646/4885KDM4E 4132/4885PDK2 2258/4885

“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.