SCHEMBL21499889

SCHEMBL21499889

Oc1nc2nonc2nc1Nc1ccc(-c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.50
TP53 P04637 6/20 0.46
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
LMNA P02545 3/20 0.46
HTT P42858 3/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GAA P10253 4/20 0.44
RECQL P46063 2/20 0.44
MAPT P10636 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ABCG2 Q9UNQ0 3/20 0.40
POLB P06746 3/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ABCC1 P33527 1/20 0.39
PDE4B Q07343 1/20 0.38

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
SCHEMBL21499915 0.91 GAA (0.45) EPHX2TP53MEN1KMT2ALMNA
SCHEMBL21499922 0.87 EPHX2 (0.53) EPHX2TP53MEN1KMT2ALMNA
SCHEMBL21499944 0.87 SMN1; SMN2 (0.52) EPHX2TP53MEN1KMT2ALMNA
SCHEMBL23766460 0.85 GAA (0.43) EPHX2TP53MEN1KMT2ALMNA
SCHEMBL21500024 0.83 SMN1; SMN2 (0.46) EPHX2TP53MEN1KMT2ALMNA
SCHEMBL21499954 0.83 TP53 (0.52) EPHX2TP53GAARECQLMAPT
SCHEMBL21499877 0.81 GAA (0.66) TP53MEN1KMT2ALMNAHTT
SCHEMBL21497112 0.81 SMN1; SMN2 (0.56) TP53MEN1KMT2ALMNAHTT
SCHEMBL21499795 0.81 MAPT (0.54) TP53MEN1KMT2ALMNAHTT
SCHEMBL21499903 0.81 GAA (0.47) TP53MEN1KMT2ALMNAHTT

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-20210253594-A1 OXADIAZOLOPYRAZINES AND OXADIAZOLOPYRIDINES USEFUL AS MITOCHONDRIAL UNCOUPLERS VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. 2021-08-19 US disclosed
US-20210253594-A1 OXADIAZOLOPYRAZINES AND OXADIAZOLOPYRIDINES USEFUL AS MITOCHONDRIAL UNCOUPLERS VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. 2021-08-19 US disclosed
WO-2019204813-A1 OXADIAZOLOPYRAZINES AND OXADIAZOLOPYRIDINES USEFUL AS MITOCHONDRIAL UNCOUPLERS VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2019-10-24 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-20210253594-A1 OXADIAZOLOPYRAZINES AND OXADIAZOLOPYRIDINES USEFUL AS MITOCHONDRIAL UNCOUPLERS NDUFAF1, OXA1L, GLS2 EPHX2 4109/4885TP53 2822/4885MEN1 4397/4885

“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.