SCHEMBL2234534

SCHEMBL2234534

FC(F)Oc1cccc(Nc2noc3cccnc23)c1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 4/20 0.61
EPHX2 P34913 3/20 0.53
PIK3CA P42336 1/20 0.49
TAS2R14 Q9NYV8 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PKM P14618 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
SGMS2 Q8NHU3 5/20 0.43
MAPT P10636 1/20 0.40
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 0.38
CREBBP Q92793 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
SCHEMBL14804990 0.91 GRM4 (0.51) GRM4EPHX2PIK3CAMEN1KMT2A
SCHEMBL6923327 0.86 EPHX2 (0.69) GRM4EPHX2SGMS2
SCHEMBL6924124 0.84 EPHX2 (0.57) GRM4EPHX2SGMS2
SCHEMBL14804998 0.84 EPHX2 (0.57) GRM4EPHX2MEN1KMT2APKM
SCHEMBL14805001 0.82 EPHX2 (0.55) GRM4EPHX2MEN1KMT2APKM
SCHEMBL6922905 0.80 EPHX2 (0.60) GRM4EPHX2MEN1KMT2AMAPK1
SCHEMBL2235375 0.78 GRM4 (0.58) GRM4EPHX2MEN1KMT2AHTT
SCHEMBL14804987 0.77 GRM4 (0.56) GRM4EPHX2KMT2AMAPK1HTT
Hydrochloric Acid SCHEMBL2234357 0.77 GRM4 (0.56) GRM4EPHX2MEN1KMT2AHTT
SCHEMBL2235274 0.77 EPHX2 (0.74) GRM4EPHX2MEN1KMT2APKM

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-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-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
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
EP-2533642-A1 BENZISOXAZOLES AND AZABENZISOXAZOLES AS mgluR4 ALLOSTERIC POTENTIATORS, COMPOSITIONS, AND METHODS OF TREATING NEUROLOGICAL DYSFUNCTION Vanderbilt University (US) 2012-12-19 EP 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
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 GRM4 2/4885EPHX2 2498/4885PIK3CA 912/4885

“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.