SCHEMBL6417286

SCHEMBL6417286

O=C(NC1CCCC1)C1c2ccccc2C(=O)N(CCN2CCOCC2)C1c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.49
CYP2D6 P10635 1/20 0.49
LMNA P02545 2/20 0.49
SCN5A Q14524 1/20 0.46
SCN9A Q15858 1/20 0.46
ALDH1A1 P00352 4/20 0.45
MAPT P10636 2/20 0.45
HTT P42858 2/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.44
NPSR1 Q6W5P4 2/20 0.43
TSHR P16473 3/20 0.42
MCHR1 Q99705 1/20 0.42
CNR2 P34972 1/20 0.41

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
SCHEMBL6410700 0.87 GAA (0.54) ALDH1A1GAATSHR
SCHEMBL6412758 0.85 ALDH1A1 (0.56) L3MBTL1ALDH1A1MAPTHTTKDM4E
SCHEMBL6419707 0.85 TSHR (0.43) L3MBTL1ALDH1A1MAPTHTTGAA
SCHEMBL6414932 0.84 MAPT (0.47) L3MBTL1ALDH1A1MAPTHTTGAA
SCHEMBL6412106 0.84 GAA (0.46) L3MBTL1ALDH1A1MAPTHTTKDM4E
SCHEMBL6411705 0.83 GAA (0.42) ALDH1A1MAPTHTTKDM4EGAA
SCHEMBL2930362 0.83 ALDH1A1 (0.60) L3MBTL1CYP2D6LMNASCN5ASCN9A
SCHEMBL2937775 0.83 ALDH1A1 (0.49) L3MBTL1CYP2D6LMNASCN5ASCN9A
SCHEMBL6413189 0.83 GAA (0.43) L3MBTL1ALDH1A1MAPTHTTKDM4E
SCHEMBL6413218 0.82 HSD17B10 (0.47) L3MBTL1LMNAALDH1A1MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050124614-A1 3,4-Dihydroisoquinolin-1-one derivatives as inducers of apoptosis AXYS PHARMACEUTICALS, INC. (US) 2005-06-09 US claimed
WO-2004004727-A1 3,4-DIHYDROISOQUINOLIN-1-ONE DERIVATIVES AS INDUCERS OF APOPTOSIS AXYS PHARMACEUTICALS, INC. (US) 2004-01-15 WO claimed
US-20050124614-A1 3,4-Dihydroisoquinolin-1-one derivatives as inducers of apoptosis AXYS PHARMACEUTICALS, INC. (US) 2005-06-09 US disclosed
WO-2004004727-A1 3,4-DIHYDROISOQUINOLIN-1-ONE DERIVATIVES AS INDUCERS OF APOPTOSIS AXYS PHARMACEUTICALS, INC. (US) 2004-01-15 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-20050124614-A1 3,4-Dihydroisoquinolin-1-one derivatives as inducers of apoptosis CASP3, BAX, BAD L3MBTL1 1653/4885CYP2D6 756/4885LMNA 623/4885

“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.