SCHEMBL6923445

SCHEMBL6923445

COc1ccc(Nc2noc3ccccc23)cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.58
TUBB4A P04350 2/20 0.54
TUBB P07437 2/20 0.54
TUBA3C P0DPH7 2/20 0.54
TUBA1B P68363 2/20 0.54
TUBA4A P68366 2/20 0.54
TUBB4B P68371 2/20 0.54
TUBB3 Q13509 2/20 0.54
TUBB2A Q13885 2/20 0.54
TUBB8 Q3ZCM7 2/20 0.54
TUBA3E Q6PEY2 2/20 0.54
TUBA1A Q71U36 2/20 0.54
TUBA1C Q9BQE3 2/20 0.54
TUBB6 Q9BUF5 2/20 0.54
TUBB2B Q9BVA1 2/20 0.54
TUBB1 Q9H4B7 2/20 0.54
KAT6A Q92794 1/20 0.54
MAPT P10636 2/20 0.48
GAA P10253 1/20 0.48
TP53 P04637 3/20 0.47

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
SCHEMBL14805006 0.83 EPHX2 (0.62) EPHX2MAPTTP53KMT2ASMN1; SMN2
SCHEMBL2237129 0.81 GRM4 (0.61) EPHX2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6923447 0.81 BCL6 (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6923003 0.80 EPHX2 (0.62) EPHX2MAPTTP53KMT2ASMN1; SMN2
SCHEMBL30667310 0.77 EPHX2 (0.61) EPHX2KAT6AMAPTTP53KMT2A
SCHEMBL29118458 0.77 EPHX2 (0.61) EPHX2KAT6AMAPTTP53KMT2A
SCHEMBL4741893 0.76 EPHX2 (0.71) EPHX2MAPTKMT2ASMN1; SMN2ALOX15
SCHEMBL24479991 0.73 MAPT (0.72) MAPTGAATP53KMT2ASMN1; SMN2
SCHEMBL8120869 0.73 EPHX2 (0.59) EPHX2TP53SMN1; SMN2ALOX15TSHR
SCHEMBL14804986 0.72 EPHX2 (0.81) EPHX2TP53SMN1; SMN2TSHR

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 5 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
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 2498/4885TUBB4A 3623/4885TUBB 4337/4885

“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.