SCHEMBL1799446

SCHEMBL1799446

C=C(c1cc(Cl)c(F)c(C(F)(F)F)c1)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPFFR2 Q9Y5X5 1/20 0.33
HTR3E A5X5Y0 1/20 0.30
HTR3B O95264 1/20 0.30
HTR3A P46098 1/20 0.30
HTR3D Q70Z44 1/20 0.30
HTR3C Q8WXA8 1/20 0.30
KDR P35968 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
SCHEMBL570661 0.87
SCHEMBL570081 0.84 NOTUM (0.37) NPFFR2HTR3EHTR3BHTR3AHTR3D
SCHEMBL872479 0.81 CES2 (0.34)
SCHEMBL14962354 0.81 CES2 (0.34)
SCHEMBL14955984 0.79 NOTUM (0.32)
SCHEMBL16689397 0.79
SCHEMBL19268219 0.79 CES1 (0.38) NPFFR2KDR
SCHEMBL113435 0.77 HPGD (0.39) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL981100 0.76 NPFFR2 (0.50) NPFFR2HTR3EHTR3BHTR3AHTR3D
SCHEMBL29738557 0.76 TTR (0.48) KDR

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
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
EP-1932836-B1 ISOXAZOLINE-SUBSTITUTED BENZAMIDE COMPOUND AND HARMFUL ORGANISM-CONTROLLING AGENT NISSAN CHEMICAL IND LTD (JP) 2013-11-06 EP 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
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 (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 NPFFR2 1409/4885HTR3E 2340/4885HTR3B 2263/4885
US-20140135496-A1 ISOXAZOLINE-SUBSTITUTED BENZAMIDE COMPOUND AND PESTICIDE OR10J3, OR51E2, ODC1 NPFFR2 1740/4885HTR3E 2032/4885HTR3B 1850/4885

“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.