SCHEMBL6410694

SCHEMBL6410694

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

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.58
HTT P42858 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
GAA P10253 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 1/20 0.40
MAPT P10636 2/20 0.39
HSD17B10 Q99714 1/20 0.39
TP53 P04637 1/20 0.38
F2 P00734 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MCHR1 Q99705 1/20 0.38
THRB P10828 1/20 0.38

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
SCHEMBL6414932 0.88 MAPT (0.47) TSHRHTTL3MBTL1GAACYP3A4
SCHEMBL6413218 0.86 HSD17B10 (0.47) TSHRHTTL3MBTL1GAACYP3A4
SCHEMBL6411518 0.85 TSHR (0.57) TSHRHTTL3MBTL1GAACYP3A4
SCHEMBL6417828 0.84 GAA (0.45) TSHRHTTL3MBTL1GAACYP3A4
SCHEMBL6410700 0.84 GAA (0.54) TSHRGAACYP3A4CYP2C9CYP2C19
SCHEMBL6413424 0.84 MAPT (0.46) TSHRHTTL3MBTL1GAACYP3A4
SCHEMBL6412758 0.81 ALDH1A1 (0.56) TSHRHTTL3MBTL1GAACYP3A4
SCHEMBL6413282 0.80 HSD17B10 (0.48) TSHRHTTL3MBTL1GAACYP3A4
SCHEMBL6412106 0.80 GAA (0.46) TSHRHTTL3MBTL1GAACYP3A4
SCHEMBL6417309 0.80 ALDH1A1 (0.55) TSHRHTTL3MBTL1GAACYP2C9

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 TSHR 4878/4885HTT 3051/4885L3MBTL1 1653/4885

“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.