SCHEMBL6922784

SCHEMBL6922784

COc1cccc2onc(Nc3cccc(Cl)c3)c12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SGMS2 Q8NHU3 10/20 0.57
SGMS1 Q86VZ5 7/20 0.57
EGFR P00533 5/20 0.51
KDM4E B2RXH2 2/20 0.51
MAPT P10636 2/20 0.51
MAPK1 P28482 2/20 0.51
TNF P01375 1/20 0.51
MEN1 O00255 1/20 0.51
GMNN O75496 1/20 0.51
ALDH1A1 P00352 1/20 0.51
ABL1 P00519 1/20 0.51
LMNA P02545 1/20 0.51
RAF1 P04049 1/20 0.51
TP53 P04637 1/20 0.51
CYP1A2 P05177 1/20 0.51
GLA P06280 1/20 0.51
CYP3A4 P08684 1/20 0.51
FBP1 P09467 1/20 0.51
CYP2D6 P10635 1/20 0.51
SRC P12931 1/20 0.51

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
SCHEMBL14804994 0.87 SGMS2 (0.57) SGMS2SGMS1EGFRKMT2AKCNA5
SCHEMBL4786411 0.79 EGFR (0.57) EGFRKDM4EMAPTMEN1CYP1A2
SCHEMBL1782414 0.77 KCNA5 (0.58) SGMS2SGMS1KCNA5KAT6A
SCHEMBL2768967 0.77 KCNA5 (0.56) SGMS2SGMS1EGFRKDM4EMAPT
SCHEMBL4742010 0.77 FADS1 (0.60) EGFRKDM4EMAPTMAPK1TNF
SCHEMBL2768871 0.77 ALDH1A1 (0.55) KDM4EMAPTMEN1ALDH1A1LMNA
SCHEMBL3957612 0.75 TNF (0.66) EGFRKDM4EMAPTMAPK1TNF
SCHEMBL4741893 0.75 EPHX2 (0.71) EGFRKDM4EMAPTMEN1ALDH1A1
SCHEMBL6196491 0.74 KCNA5 (0.47) SGMS2SGMS1KDM4EMAPTMEN1
SCHEMBL14012657 0.73 KCNA5 (0.61) SGMS2SGMS1MAPTMEN1ALDH1A1

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-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
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 SGMS2 2079/4885SGMS1 2035/4885EGFR 4062/4885

“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.