SCHEMBL6410790

SCHEMBL6410790

CN1C(=O)c2ccccc2C(C(=O)Nc2nncs2)C1c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
TSHR P16473 1/20 0.45
NPC1 O15118 1/20 0.45
HSD17B10 Q99714 4/20 0.44
LMNA P02545 1/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
HTT P42858 2/20 0.40
GLA P06280 1/20 0.40
CASP1 P29466 1/20 0.40
FFAR1 O14842 1/20 0.40
NR3C1 P04150 3/20 0.39
PGR P06401 1/20 0.39
AR P10275 1/20 0.39
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL6410230 0.85 HSD17B10 (0.46) GAATSHRNPC1HSD17B10LMNA
SCHEMBL6410235 0.85 HSD17B10 (0.46) GAATSHRNPC1HSD17B10LMNA
SCHEMBL6419719 0.83 HSD17B10 (0.50) GAATSHRNPC1HSD17B10LMNA
SCHEMBL6410777 0.83 GAA (0.48) GAATSHRNPC1HSD17B10LMNA
SCHEMBL6410201 0.82 GAA (0.52) GAATSHRNPC1HSD17B10LMNA
SCHEMBL6411648 0.81 HSD17B10 (0.51) GAATSHRNPC1HSD17B10LMNA
SCHEMBL6413221 0.81 CYP1A2 (0.55) GAATSHRNPC1HSD17B10LMNA
SCHEMBL14424942 0.81 HSD17B10 (0.47) GAATSHRNPC1HSD17B10LMNA
SCHEMBL6419080 0.81 HSD17B10 (0.47) GAATSHRNPC1HSD17B10LMNA
SCHEMBL6419122 0.81 HSD17B10 (0.47) GAATSHRNPC1HSD17B10LMNA

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 GAA 2485/4885TSHR 4878/4885NPC1 1504/4885

“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.