SCHEMBL6924124

SCHEMBL6924124

FC(F)(F)C(F)(F)Oc1cccc(Nc2noc3cccnc23)c1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.57
SGMS2 Q8NHU3 6/20 0.48
GRM4 Q14833 8/20 0.46
SGMS1 Q86VZ5 1/20 0.41
CYP1A2 P05177 1/20 0.41
SYK P43405 1/20 0.41
DDR1 Q08345 1/20 0.40
CTSC P53634 1/20 0.38

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
SCHEMBL14805001 0.91 EPHX2 (0.55) EPHX2SGMS2GRM4SGMS1CYP1A2
SCHEMBL6923327 0.91 EPHX2 (0.69) EPHX2SGMS2GRM4SGMS1SYK
SCHEMBL14804998 0.89 EPHX2 (0.57) EPHX2SGMS2GRM4SGMS1CYP1A2
SCHEMBL2234534 0.84 GRM4 (0.61) EPHX2SGMS2GRM4
SCHEMBL2235274 0.80 EPHX2 (0.74) EPHX2GRM4CYP1A2CTSC
SCHEMBL14804990 0.80 GRM4 (0.51) EPHX2SGMS2GRM4SGMS1CYP1A2
SCHEMBL6922905 0.78 EPHX2 (0.60) EPHX2SGMS2GRM4SGMS1
SCHEMBL14804989 0.78 EPHX2 (0.64) EPHX2GRM4CYP1A2
SCHEMBL2235375 0.76 GRM4 (0.58) EPHX2SGMS2GRM4SGMS1SYK
SCHEMBL14804987 0.75 GRM4 (0.56) EPHX2SGMS2GRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8916584-B2 Benzisoxazoles and azabenzisoxazoles as MGLUR4 allosteric potentiators, compositions, and methods of treating neurological dysfunction VANDERBILT UNIVERSITY (US) 2014-12-23 US disclosed
US-20130079366-A1 Benzisoxazoles and Azabenzisoxazoles as MGLUR4 Allosteric Potentiators, Compositions, and Methods of Treating Neurological Dysfunction VANDERBILT UNIVERSITY (US) 2013-03-28 US disclosed
WO-2011100614-A1 BENZISOXAZOLES AND AZABENZISOXAZOLES AS mgluR4 ALLOSTERIC POTENTIATORS, COMPOSITIONS, AND METHODS OF TREATING NEUROLOGICAL DYSFUNCTION VANDERBILT UNIVERSITY (US) 2011-08-18 WO 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 (1 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-20130079366-A1 Benzisoxazoles and Azabenzisoxazoles as MGLUR4 Allosteric Potentiators, Compositions, and Methods of Treating Neurological Dysfunction GRIK4, GRM4, GRIA4 EPHX2 2498/4885SGMS2 2079/4885GRM4 2/4885

“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.