SCHEMBL6411705

SCHEMBL6411705

O=C(NC1CCCC1)C1c2ccccc2C(=O)N(CCC(=O)N2CCC(O)CC2)C1c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
TSHR P16473 5/20 0.41
ALDH1A1 P00352 3/20 0.41
F2R P25116 2/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
MAPT P10636 2/20 0.38
MCHR1 Q99705 1/20 0.38
KDM4E B2RXH2 1/20 0.37
HTT P42858 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL6419707 0.94 TSHR (0.43) GAATSHRALDH1A1TP53CYP3A4
SCHEMBL6413189 0.92 GAA (0.43) GAATSHRALDH1A1TP53CYP3A4
SCHEMBL6416277 0.88 ALDH1A1 (0.42) GAATSHRALDH1A1TP53CYP2C9
SCHEMBL6413158 0.87 SCN9A (0.41) TSHRALDH1A1CYP2C19NPSR1MAPT
SCHEMBL6410700 0.85 GAA (0.54) GAATSHRALDH1A1TP53CYP3A4
SCHEMBL6412106 0.85 GAA (0.46) GAATSHRALDH1A1TP53CYP3A4
SCHEMBL6414870 0.84 ALDH1A1 (0.48) TSHRALDH1A1NPSR1MAPTKDM4E
SCHEMBL6417286 0.83 L3MBTL1 (0.49) GAATSHRALDH1A1NPSR1MAPT
SCHEMBL6412758 0.83 ALDH1A1 (0.56) GAATSHRALDH1A1CYP3A4CYP2C9
SCHEMBL6417824 0.81 ALDH1A1 (0.50) GAATSHRALDH1A1CYP3A4CYP2C9

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-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

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 GAA 2485/4885TSHR 4878/4885ALDH1A1 1368/4885

“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.