SCHEMBL6413336

SCHEMBL6413336

CN1C(=O)c2ccccc2C(C(=O)NC2CCCC2)C1c1sccc1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.52
GAA P10253 1/20 0.44
TSHR P16473 7/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MCHR1 Q99705 1/20 0.44
ALDH1A1 P00352 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAPT P10636 2/20 0.39
HSD17B10 Q99714 1/20 0.39
P2RX7 Q99572 1/20 0.39
TP53 P04637 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 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 0.80 MAPT (0.47) HTTGAATSHRL3MBTL1ALDH1A1
SCHEMBL6412128 0.80 ALDH1A1 (0.55) HTTGAATSHRL3MBTL1NPSR1
SCHEMBL6413282 0.79 HSD17B10 (0.48) HTTGAATSHRL3MBTL1ALDH1A1
SCHEMBL6413218 0.78 HSD17B10 (0.47) HTTGAATSHRL3MBTL1ALDH1A1
SCHEMBL6418388 0.78 MAPK1 (0.60) HTTTSHRL3MBTL1ALDH1A1MAPT
SCHEMBL6413424 0.76 MAPT (0.46) HTTGAATSHRL3MBTL1ALDH1A1
SCHEMBL6416752 0.75 HSD17B10 (0.50) HTTGAATSHRL3MBTL1ALDH1A1
SCHEMBL6413328 0.75 HSD17B10 (0.46) HTTGAATSHRL3MBTL1ALDH1A1
SCHEMBL14425388 0.72 CYP2C9 (0.67) HTTGAATSHRL3MBTL1ALDH1A1
SCHEMBL14424880 0.72 CYP2C9 (0.67) HTTGAATSHRL3MBTL1ALDH1A1

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-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

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

“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.