SCHEMBL6413067

SCHEMBL6413067

CN1C(=O)c2ccccc2C(C(=O)NCc2cccnc2)C1c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.70
CYP3A4 P08684 3/20 0.61
CYP2C9 P11712 2/20 0.61
KMT2A Q03164 2/20 0.61
MEN1 O00255 1/20 0.61
NPSR1 Q6W5P4 1/20 0.58
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KCNH2 Q12809 2/20 0.48
SCN5A Q14524 2/20 0.48
SCN9A Q15858 2/20 0.48
FPR1 P21462 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP1A2 P05177 1/20 0.48
ALDH1A1 P00352 2/20 0.46
POLB P06746 2/20 0.46
TACR1 P25103 1/20 0.44
GLA P06280 1/20 0.44
CASP1 P29466 1/20 0.44

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
SCHEMBL6410227 0.90 HSD17B10 (0.56) HSD17B10CYP3A4CYP2C9KMT2AMEN1
SCHEMBL6418322 0.90 HSD17B10 (0.55) HSD17B10CYP3A4CYP2C9KMT2AMEN1
SCHEMBL6413435 0.85 GAA (0.52) HSD17B10CYP3A4CYP2C9KMT2AMEN1
SCHEMBL6416741 0.84 L3MBTL1 (0.69) HSD17B10KMT2AL3MBTL1KCNH2SCN5A
SCHEMBL6417863 0.83 HSD17B10 (0.49) HSD17B10CYP3A4CYP2C9KMT2AMEN1
SCHEMBL6412043 0.83 HSD17B10 (0.49) HSD17B10CYP3A4CYP2C9KMT2AMEN1
SCHEMBL6416285 0.82 HSD17B10 (0.50) HSD17B10CYP3A4CYP2C9KMT2AMEN1
SCHEMBL6420494 0.82 GLA (0.53) HSD17B10NPSR1L3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL6413399 0.82 GLA (0.53) HSD17B10NPSR1L3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL6415492 0.82 GLA (0.53) HSD17B10NPSR1L3MBTL1SMN1; SMN2ALDH1A1

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 HSD17B10 1460/4885CYP3A4 162/4885CYP2C9 2171/4885

“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.