SCHEMBL19793129

SCHEMBL19793129

CC(C)(C)C(=O)Nc1noc2cc(Br)ccc12

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.41
PRNP P04156 1/20 0.39
HTT P42858 2/20 0.39
ALDH1A1 P00352 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
MAPT P10636 3/20 0.38
KDM4E B2RXH2 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 1/20 0.38
TP53 P04637 4/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
SCD5 Q86SK9 1/20 0.36
EPHX2 P34913 1/20 0.35
GSK3B P49841 1/20 0.35
BRD4 O60885 1/20 0.35

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
SCHEMBL7893833 0.84 DYRK1A (0.54) DYRK1APRNPHTTALDH1A1MAPT
SCHEMBL2440682 0.83 GSK3B (0.41) DYRK1APRNPHTTALDH1A1MAPT
SCHEMBL3309178 0.83 CA12 (0.42) DYRK1APRNPHTTALDH1A1MAPT
SCHEMBL2144813 0.82 PRNP (0.44) DYRK1APRNPHTTALDH1A1RXFP1
SCHEMBL2440209 0.81 SMN1; SMN2 (0.51) PRNPALDH1A1MAPTPOLBTP53
SCHEMBL2438375 0.80 SMN1; SMN2 (0.57) MAPTKDM4EL3MBTL1TP53SMN1; SMN2
SCHEMBL19793140 0.77 SCD5 (0.46) PRNPHTTALDH1A1MAPTKDM4E
SCHEMBL19793163 0.76 ALDH1A1 (0.36) PRNPHTTALDH1A1RXFP1MAPT
SCHEMBL2440215 0.76 PRNP (0.41) DYRK1APRNPHTTALDH1A1RXFP1
SCHEMBL26633206 0.76 EPHX2 (0.39) PRNPHTTALDH1A1SCD5EPHX2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9980945-B2 Benzoisoxazole-substituted compounds as MGLUR4 allosteric potentiators, compositions, and methods of treating neurological dysfunction VANDERBILT UNIVERSITY (US) 2018-05-29 US disclosed
US-20180021312-A1 BENZOISOXAZOLE-SUBSTITUTED COMPOUNDS AS MGLUR4 ALLOSTERIC POTENTIATORS, COMPOSITIONS, AND METHODS OF TREATING NEUROLOGICAL DYSFUNCTION VANDERBILT UNIVERSITY 2018-01-25 US 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-20180021312-A1 BENZOISOXAZOLE-SUBSTITUTED COMPOUNDS AS MGLUR4 ALLOSTERIC POTENTIATORS, COMPOSITIONS, AND METHODS OF TREATING NEUROLOGICAL DYSFUNCTION GRIK4, GRM4, GRM1 DYRK1A 2089/4885PRNP 1061/4885HTT 648/4885

“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.