SCHEMBL21499987

SCHEMBL21499987

Oc1nc2nonc2nc1Nc1ccc(S(F)(F)(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
RECQL P46063 2/20 0.43
MAPT P10636 7/20 0.40
TP53 P04637 6/20 0.40
SMN1; SMN2 Q16637 6/20 0.40
POLB P06746 4/20 0.40
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
HTT P42858 5/20 0.39
LMNA P02545 4/20 0.39
RAB9A P51151 2/20 0.39
AKR1C3 P42330 2/20 0.35
AKR1C2 P52895 2/20 0.35
PTGS1 P23219 1/20 0.35
CDKN1A P38936 1/20 0.35
CCR2 P41597 1/20 0.34
CCR5 P51681 1/20 0.34
ALDH1A1 P00352 3/20 0.32
NPSR1 Q6W5P4 1/20 0.32
USP2 O75604 1/20 0.31

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
SCHEMBL21499866 0.83 TP53 (0.45) GAARECQLMAPTTP53SMN1; SMN2
SCHEMBL21497112 0.83 SMN1; SMN2 (0.56) GAARECQLMAPTTP53SMN1; SMN2
SCHEMBL21499877 0.80 GAA (0.66) GAARECQLMAPTTP53SMN1; SMN2
SCHEMBL21499795 0.80 MAPT (0.54) GAARECQLMAPTTP53SMN1; SMN2
SCHEMBL21499903 0.80 GAA (0.47) GAARECQLMAPTTP53SMN1; SMN2
SCHEMBL21499915 0.80 GAA (0.45) GAARECQLMAPTTP53SMN1; SMN2
SCHEMBL21499944 0.79 SMN1; SMN2 (0.52) GAARECQLMAPTTP53SMN1; SMN2
SCHEMBL21497181 0.79 TP53 (0.55) GAARECQLMAPTTP53SMN1; SMN2
SCHEMBL21499889 0.78 EPHX2 (0.50) GAARECQLMAPTTP53SMN1; SMN2
SCHEMBL21499912 0.78 GAA (0.48) GAARECQLMAPTTP53SMN1; SMN2

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-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 GAA 1504/4885RECQL 1634/4885MAPT 4454/4885

“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.