SCHEMBL6922840

SCHEMBL6922840

c1cnc2c(Nc3ccc4c(c3)OCO4)noc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.56
▸ CLK1 P49759 3/20 0.52
▸ MAPT P10636 5/20 0.51
▸ KMT2A Q03164 5/20 0.51
▸ KDM4E B2RXH2 5/20 0.51
▸ NPC1 O15118 5/20 0.51
▸ RAB9A P51151 5/20 0.51
▸ MEN1 O00255 4/20 0.51
▸ HPGD P15428 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ ALDH1A1 P00352 3/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ ALOX15 P16050 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ PKM P14618 1/20 0.43
▸ CLK2 P49760 1/20 0.43
▸ DYRK1A Q13627 1/20 0.43
▸ CLK4 Q9HAZ1 1/20 0.43
▸ DYRK1B Q9Y463 1/20 0.43

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
SCHEMBL6923972 0.80 EPHX2 (0.57) EPHX2CLK1ULK1TUBB4ATUBB
SCHEMBL14805003 0.78 EPHX2 (0.55) EPHX2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL2234997 0.77 EPHX2 (0.60) EPHX2KMT2AMEN1NPSR1
SCHEMBL6922842 0.77 EPHX2 (0.64) EPHX2
SCHEMBL14804999 0.77 EPHX2 (0.60) EPHX2MAPTKMT2ANPC1RAB9A
SCHEMBL6923443 0.76 EPHX2 (0.69) EPHX2CLK1MAPTKMT2AKDM4E
SCHEMBL2235375 0.76 GRM4 (0.58) EPHX2KMT2ANPC1MEN1HPGD
SCHEMBL30269611 0.76 CLK1 (0.53) CLK1MAPTKMT2AKDM4ENPC1
SCHEMBL11557056 0.76 CLK1 (0.53) CLK1MAPTKMT2AKDM4ENPC1
SCHEMBL6923970 0.75 GRM4 (0.60) EPHX2MAPTKMT2ANPC1RAB9A

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 2498/4885CLK1 4441/4885MAPT 1613/4885

“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.

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