SCHEMBL6413440

SCHEMBL6413440

CN1C(=O)c2ccccc2C(C(=O)Nc2nccs2)C1c1cccc(OC(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.51
HSD17B10 Q99714 4/20 0.49
MAPT P10636 2/20 0.49
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.46
TSHR P16473 2/20 0.46
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.45
FFAR1 O14842 1/20 0.43
KCNH2 Q12809 2/20 0.42
SCN9A Q15858 2/20 0.42
SCN5A Q14524 1/20 0.42
CYP3A4 P08684 2/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
HTT P42858 1/20 0.41
GLA P06280 1/20 0.41
CASP1 P29466 1/20 0.41
ALOX15 P16050 2/20 0.40

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
SCHEMBL6410235 0.84 HSD17B10 (0.46) GAAHSD17B10MAPTALDH1A1KDM4E
SCHEMBL6410230 0.84 HSD17B10 (0.46) GAAHSD17B10MAPTALDH1A1KDM4E
SCHEMBL6417689 0.80 GAA (0.45) GAAHSD17B10MAPTALDH1A1KDM4E
SCHEMBL6410930 0.79 ALDH1A1 (0.56) GAAHSD17B10MAPTALDH1A1KDM4E
SCHEMBL6417295 0.76 MAPK1 (0.58) GAAHSD17B10MAPTALDH1A1KDM4E
SCHEMBL6413117 0.71 CYP2C9 (0.51) GAAHSD17B10MAPTALDH1A1KDM4E
SCHEMBL6410777 0.70 GAA (0.48) GAAHSD17B10MAPTALDH1A1KDM4E
SCHEMBL6410790 0.70 GAA (0.46) GAAHSD17B10MAPTALDH1A1KDM4E
SCHEMBL2336729 0.69 CYP2C9 (0.53) GAAMAPTALDH1A1KDM4EL3MBTL1
SCHEMBL6413221 0.69 CYP1A2 (0.55) GAAHSD17B10MAPTALDH1A1KDM4E

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 2485/4885HSD17B10 1460/4885MAPT 3291/4885

“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.