SCHEMBL978692

SCHEMBL978692

FC(F)(F)c1cc(Br)cc(Cl)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 4/20 0.42
EPAS1 Q99814 1/20 0.35
NMT1 P30419 1/20 0.34
KDM1A O60341 2/20 0.34
NT5E P21589 1/20 0.34
P2RX7 Q99572 1/20 0.32
CYP3A4 P08684 1/20 0.32
IDO1 P14902 2/20 0.32
HTR3E A5X5Y0 1/20 0.32
HTR3B O95264 1/20 0.32
HTR3A P46098 1/20 0.32
HTR3D Q70Z44 1/20 0.32
HTR3C Q8WXA8 1/20 0.32
KDR P35968 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TMPRSS4 Q9NRS4 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
SCHEMBL7882962 0.88 EPAS1 (0.38) NOTUMEPAS1KDM1ANT5EP2RX7
SCHEMBL29025677 0.80 KDM1A (0.33) NOTUMEPAS1NMT1KDM1ANT5E
SCHEMBL31619143 0.80 EPAS1 (0.37) NOTUMEPAS1KDM1ANT5EP2RX7
SCHEMBL31571901 0.78 ADRB2 (0.42) KDM1ACYP3A4IDO1HTR3EHTR3B
SCHEMBL31571902 0.78 ADRB2 (0.42) KDM1ACYP3A4IDO1HTR3EHTR3B
SCHEMBL1000064 0.78 ADRB2 (0.42) KDM1ACYP3A4IDO1HTR3EHTR3B
SCHEMBL13550102 0.78 RAPGEF4 (0.37) NOTUMEPAS1KDM1AP2RX7CYP3A4
SCHEMBL6705993 0.78 KDM1A (0.39) NOTUMKDM1ATMPRSS4
SCHEMBL10493689 0.77 RAPGEF4 (0.42) NOTUMP2RX7CYP3A4IDO1HTR3E
SCHEMBL27796545 0.76 ALDH1A1 (0.52) NOTUMEPAS1CYP3A4IDO1HTR3E

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-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
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 NOTUM 854/4885EPAS1 4773/4885NMT1 1973/4885
US-20090156643-A1 Substituted isoxazoline compound and pesticide HCRTR1, CBR1, CHRM1 NOTUM 914/4885EPAS1 4598/4885NMT1 1812/4885
US-20110009438-A1 SUBSTITUTED ISOXAZOLINE COMPOUND AND PEST CONTROL AGENT CCR10, H1-10, CCL11 NOTUM 3342/4885EPAS1 4858/4885NMT1 4088/4885

“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.