SCHEMBL6566697

SCHEMBL6566697

COC(=O)c1cc(N)ccc1OC(c1cccc(F)c1)c1cccc(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
KDM4E B2RXH2 1/20 0.38
KMT2A Q03164 5/20 0.36
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
MEN1 O00255 3/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CFTR P13569 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
AOC3 Q16853 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
SCHEMBL6566566 0.92 ABL1 (0.39) GAAHDAC4HDAC7HDAC5IDO1
SCHEMBL6566526 0.91 CFTR (0.43) GAAIDO1TDO2KDM4EMAPT
SCHEMBL6564586 0.87 SLC6A4 (0.42) GAAKDM4EKMT2ANPC1MEN1
SCHEMBL6566865 0.86 GAA (0.46) GAAIDO1TDO2KDM4ENPC1
SCHEMBL6564533 0.86 GAA (0.48) GAAKDM4EKMT2AMEN1MAPT
SCHEMBL6566689 0.86 ALDH1A1 (0.40) GAAKDM4EKMT2AMEN1MAPT
SCHEMBL6567957 0.85 CFTR (0.48) GAAIDO1TDO2KDM4EKMT2A
SCHEMBL6564770 0.84 GAA (0.39) GAAKDM4EKMT2AMEN1MAPT
SCHEMBL6566564 0.82 GAA (0.40) GAAKDM4EKMT2ANPC1RAB9A
SCHEMBL6565855 0.82 ABL1 (0.42) GAAKDM4EKMT2AMEN1MAPT

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-20040259912-A1 Benzine derivatives, process for preparing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-12-23 US disclosed
EP-1437344-A1 BENZENE DERIVATIVES,PROCESS FOR PREPARING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2004-07-14 EP 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-20040259912-A1 Benzine derivatives, process for preparing the same and use thereof HRH4, HRH2, HRH1 GAA 3305/4885HDAC4 1016/4885HDAC7 238/4885

“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.