SCHEMBL6417828

SCHEMBL6417828

CCCCC(C(=O)OC)N1C(=O)c2ccccc2C(C(=O)NC2CCCC2)C1c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
TSHR P16473 5/20 0.44
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 3/20 0.41
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
F2 P00734 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
THRB P10828 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 2/20 0.37
HSD17B10 Q99714 1/20 0.35
TACR1 P25103 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
SCHEMBL6410694 0.84 TSHR (0.58) GAATSHRHTTL3MBTL1ALDH1A1
SCHEMBL6410700 0.81 GAA (0.54) GAATSHRALDH1A1CYP3A4CYP2C9
SCHEMBL6414932 0.79 MAPT (0.47) GAATSHRHTTL3MBTL1ALDH1A1
SCHEMBL6412758 0.79 ALDH1A1 (0.56) GAATSHRHTTL3MBTL1ALDH1A1
SCHEMBL6413218 0.78 HSD17B10 (0.47) GAATSHRHTTL3MBTL1ALDH1A1
SCHEMBL6417824 0.77 ALDH1A1 (0.50) GAATSHRHTTALDH1A1CYP3A4
SCHEMBL6411518 0.77 TSHR (0.57) GAATSHRHTTL3MBTL1ALDH1A1
SCHEMBL6413424 0.76 MAPT (0.46) GAATSHRHTTL3MBTL1ALDH1A1
SCHEMBL6412106 0.74 GAA (0.46) GAATSHRHTTL3MBTL1ALDH1A1
SCHEMBL6413282 0.73 HSD17B10 (0.48) GAATSHRHTTL3MBTL1ALDH1A1

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
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 GAA 2485/4885TSHR 4878/4885HTT 3051/4885

“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.