SCHEMBL6923970

SCHEMBL6923970

Cc1cc(Nc2noc3cccnc23)ccc1Cl

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 15/20 0.60
EPHX2 P34913 3/20 0.57
CYP1A2 P05177 3/20 0.42
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL14804992 0.91 GRM4 (0.59) GRM4EPHX2CYP1A2MEN1NPC1
SCHEMBL14804999 0.89 EPHX2 (0.60) GRM4EPHX2CYP1A2MEN1NPC1
SCHEMBL2234997 0.89 EPHX2 (0.60) GRM4EPHX2CYP1A2MEN1KMT2A
SCHEMBL14804988 0.86 EPHX2 (0.60) GRM4EPHX2CYP1A2TDO2KMT2A
SCHEMBL2235367 0.85 GRM4 (0.61) GRM4EPHX2IDO1TDO2
SCHEMBL14804995 0.83 EPHX2 (0.60) GRM4EPHX2CYP1A2MEN1NPC1
SCHEMBL6922687 0.83 EPHX2 (0.56) GRM4EPHX2CYP1A2
SCHEMBL2236658 0.83 EPHX2 (0.60) GRM4EPHX2MAPT
SCHEMBL2237129 0.83 GRM4 (0.61) GRM4EPHX2MEN1NPC1LMNA
SCHEMBL6923762 0.83 EPHX2 (0.66) GRM4EPHX2CYP1A2MEN1KMT2A

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 3 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-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 GRM4 2/4885EPHX2 2498/4885CYP1A2 2669/4885

“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.