SCHEMBL6922844

SCHEMBL6922844

Fc1cccc2c(Nc3cccc(OC(F)F)c3)noc12

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.51
GRM4 Q14833 3/20 0.46
KIT P10721 2/20 0.43
TAS2R14 Q9NYV8 1/20 0.43
PIK3CA P42336 1/20 0.41
RAF1 P04049 1/20 0.40
BRAF P15056 1/20 0.40
GALR2 O43603 1/20 0.39
GALR1 P47211 1/20 0.39
EP300 Q09472 1/20 0.39
CREBBP Q92793 1/20 0.39
SYK P43405 2/20 0.38
DDR1 Q08345 1/20 0.38
BCDIN3D Q7Z5W3 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
SCHEMBL14805004 0.91 EPHX2 (0.46) EPHX2GRM4KITSYKDDR1
SCHEMBL6924248 0.83 EPHX2 (0.58) EPHX2KITSYKDDR1
SCHEMBL14805009 0.81 EPHX2 (0.56) EPHX2KITSYKDDR1
SCHEMBL6922978 0.80 ABCG2 (0.49) EPHX2
SCHEMBL6924128 0.78 SYK (0.49) EPHX2SYK
SCHEMBL6922975 0.78 EPHX2 (0.49) EPHX2GRM4
SCHEMBL6923813 0.74 EGFR (0.52) EPHX2GRM4KIT
SCHEMBL14805005 0.74 TUBB4A (0.49) EPHX2GRM4DDR1
SCHEMBL8126417 0.73 EPHX2 (0.53) EPHX2
SCHEMBL2234534 0.72 GRM4 (0.61) EPHX2GRM4TAS2R14PIK3CARAF1

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 2498/4885GRM4 2/4885KIT 4817/4885

“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.