SCHEMBL2565629

SCHEMBL2565629

Nc1ccc(OCC(F)(F)F)c(F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
MAPT P10636 4/20 0.53
KDM4E B2RXH2 4/20 0.53
MEN1 O00255 2/20 0.53
USP2 O75604 2/20 0.53
CASP1 P29466 2/20 0.53
KMT2A Q03164 2/20 0.53
HSP90AA1 P07900 1/20 0.53
HSP90AB1 P08238 1/20 0.53
THRB P10828 1/20 0.53
G6PD P11413 1/20 0.53
ALOX15 P16050 1/20 0.53
HSD17B10 Q99714 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40
TNK2 Q07912 2/20 0.40
GAA P10253 4/20 0.40
POLB P06746 2/20 0.40
TP53 P04637 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
SCHEMBL25693067 0.86 ALDH1A1 (0.38) ALDH1A1MAPTKDM4EMEN1USP2
SCHEMBL29865474 0.85 MAPT (0.53) ALDH1A1MAPTKDM4EMEN1USP2
SCHEMBL1771501 0.85 ALDH1A1 (0.68) ALDH1A1MAPTKDM4EMEN1USP2
SCHEMBL10969215 0.85 ALDH1A1 (0.57) ALDH1A1MAPTKDM4EMEN1USP2
SCHEMBL2226575 0.82 AAK1 (0.40) ALDH1A1MAPTKDM4EMEN1USP2
SCHEMBL2791295 0.81 ALDH1A1 (0.53) ALDH1A1MAPTKDM4EMEN1USP2
SCHEMBL21497155 0.81 APP (0.40) ALDH1A1MAPTKDM4EMEN1USP2
SCHEMBL20496734 0.80 GAA (0.40) ALDH1A1MAPTKDM4EMEN1USP2
SCHEMBL20496730 0.80 GAA (0.48) ALDH1A1MAPTKDM4EMEN1USP2
SCHEMBL6704094 0.80 ALDH1A1 (0.52) ALDH1A1MAPTKDM4EMEN1USP2

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 8 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
EP-3781572-A1 OXADIAZOLOPYRAZINES AND OXADIAZOLOPYRIDINES USEFUL AS MITOCHONDRIAL UNCOUPLERS Virginia Tech Intellectual Properties, Inc. (US) 2021-02-24 EP disclosed
WO-2019204813-A1 OXADIAZOLOPYRAZINES AND OXADIAZOLOPYRIDINES USEFUL AS MITOCHONDRIAL UNCOUPLERS VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2019-10-24 WO disclosed
WO-2019204813-A1 OXADIAZOLOPYRAZINES AND OXADIAZOLOPYRIDINES USEFUL AS MITOCHONDRIAL UNCOUPLERS VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2019-10-24 WO disclosed
EP-2382218-A1 DELTA-5-DESATURASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2011-11-02 EP disclosed
WO-2010087467-A1 DELTA-5-DESATURASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-05 WO disclosed
US-20100190747-A1 Fused ring compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 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 (2 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 ALDH1A1 474/4885MAPT 4454/4885KDM4E 4643/4885
US-20100190747-A1 Fused ring compound and use thereof CYP46A1, LTB4R2, PTGES ALDH1A1 875/4885MAPT 2366/4885KDM4E 2686/4885

“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.