SCHEMBL6922978

SCHEMBL6922978

Fc1cccc(Nc2noc3c(F)cccc23)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 4/20 0.49
EGFR P00533 3/20 0.49
FADS1 O60427 1/20 0.49
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
EPHX2 P34913 6/20 0.46
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
RAB9A P51151 2/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
MKNK1 Q9BUB5 1/20 0.43
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL6924128 0.86 SYK (0.49) ABCG2EGFRFADS1MEN1KMT2A
SCHEMBL6922975 0.85 EPHX2 (0.49) EPHX2LMNAHPGD
SCHEMBL14805005 0.82 TUBB4A (0.49) MEN1KMT2AEPHX2LMNAHPGD
SCHEMBL6923813 0.82 EGFR (0.52) ABCG2EGFREPHX2POLBSMN1; SMN2
SCHEMBL6923001 0.81 EPHX2 (0.69) ABCG2EGFRFADS1MEN1KMT2A
SCHEMBL8126417 0.81 EPHX2 (0.53) MEN1KMT2AEPHX2ALDH1A1LMNA
SCHEMBL6922844 0.80 EPHX2 (0.51) EPHX2
SCHEMBL14805007 0.79 MAPT (0.47) EGFRMEN1KMT2AEPHX2ALDH1A1
SCHEMBL6924248 0.79 EPHX2 (0.58) EPHX2
SCHEMBL14805004 0.79 EPHX2 (0.46) ABCG2EGFRMEN1KMT2AEPHX2

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 ABCG2 1378/4885EGFR 4062/4885FADS1 4074/4885

“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.