SCHEMBL981100

SCHEMBL981100

C=C(c1ccc(Cl)c(C(F)(F)F)c1)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPFFR2 Q9Y5X5 3/20 0.50
HTR3E A5X5Y0 1/20 0.45
HTR3B O95264 1/20 0.45
HTR3A P46098 1/20 0.45
HTR3D Q70Z44 1/20 0.45
HTR3C Q8WXA8 1/20 0.45
KDR P35968 1/20 0.45
IDO1 P14902 2/20 0.41
NOTUM Q6P988 6/20 0.41
PDK1 Q15118 1/20 0.41
HSD11B1 P28845 1/20 0.40
NPFFR1 Q9GZQ6 2/20 0.40
LMNA P02545 1/20 0.38
SLC6A3 Q01959 1/20 0.38
PGR P06401 1/20 0.38
RAPGEF4 Q8WZA2 1/20 0.37

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
SCHEMBL2492152 0.82 TSHR (0.47) NPFFR2
SCHEMBL25787675 0.81 NPFFR2 (0.58) NPFFR2HTR3EHTR3BHTR3AHTR3D
Hydrogen Sulfide SCHEMBL28190447 0.81 TSHR (0.45) NPFFR2
SCHEMBL175619 0.79 TAS1R3 (0.42)
SCHEMBL16795634 0.79 NPFFR2 (0.48) NPFFR2HTR3EHTR3BHTR3AHTR3D
SCHEMBL570081 0.78 NOTUM (0.37) NPFFR2HTR3EHTR3BHTR3AHTR3D
SCHEMBL27770756 0.78 TSHR (0.44) NPFFR2RAPGEF4
SCHEMBL23424816 0.77 NPFFR2 (0.47) NPFFR2HTR3EHTR3BHTR3AHTR3D
SCHEMBL31059293 0.77 KDR (0.49) NPFFR2HTR3EHTR3BHTR3AHTR3D
SCHEMBL1987447 0.77 NPFFR2 (0.61) NPFFR2HTR3EHTR3BHTR3AHTR3D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318757-B2 Substituted isoxazoline compound and pest control agent NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-11-27 US disclosed
US-8242283-B2 Isoxazoline compound and pesticide NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-08-14 US disclosed
US-20110172414-A1 ISOXAZOLINE COMPOUND AND PESTICIDE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2011-07-14 US disclosed
US-7947715-B2 Isoxazoline compound and pesticide NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2011-05-24 US disclosed
US-20110009438-A1 SUBSTITUTED ISOXAZOLINE COMPOUND AND PEST CONTROL AGENT NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2011-01-13 US disclosed
CN-101801940-A Substituted isoxazoline compound and pest control agent NISSAN CHEMICAL IND LTD 2010-08-11 CN disclosed
EP-2199287-A1 SUBSTITUTED ISOXAZOLINE COMPOUND AND PEST CONTROL AGENT Nissan Chemical Industries, Ltd. (JP) 2010-06-23 EP disclosed
US-20090156643-A1 Substituted isoxazoline compound and pesticide NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-06-18 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 (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-20110172414-A1 ISOXAZOLINE COMPOUND AND PESTICIDE HCRTR1, HAX1, CHRM1 NPFFR2 534/4885HTR3E 2485/4885HTR3B 1418/4885
US-20090156643-A1 Substituted isoxazoline compound and pesticide HCRTR1, CBR1, CHRM1 NPFFR2 796/4885HTR3E 2745/4885HTR3B 1531/4885
US-20110009438-A1 SUBSTITUTED ISOXAZOLINE COMPOUND AND PEST CONTROL AGENT CCR10, H1-10, CCL11 NPFFR2 144/4885HTR3E 2219/4885HTR3B 1995/4885

“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.