SCHEMBL6416741

SCHEMBL6416741

CN1C(=O)c2ccccc2C(C(=O)NCc2ccccn2)C1c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.69
MAPK1 P28482 1/20 0.58
KMT2A Q03164 1/20 0.58
SCN9A Q15858 13/20 0.52
KCNH2 Q12809 10/20 0.52
SCN5A Q14524 10/20 0.52
HSD17B10 Q99714 1/20 0.49
GLA P06280 1/20 0.45
CASP1 P29466 1/20 0.45
KCNQ2 O43526 1/20 0.44
KCNA5 P22460 1/20 0.44
SCN2A Q99250 1/20 0.44
CACNA1B Q00975 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
SORT1 Q99523 1/20 0.42

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
SCHEMBL6411266 0.91 L3MBTL1 (0.58) L3MBTL1MAPK1KMT2ASCN9AKCNH2
SCHEMBL6410227 0.86 HSD17B10 (0.56) L3MBTL1MAPK1KMT2ASCN9AKCNH2
SCHEMBL6418322 0.86 HSD17B10 (0.55) L3MBTL1MAPK1KMT2ASCN9AKCNH2
SCHEMBL6413221 0.84 CYP1A2 (0.55) L3MBTL1HSD17B10GLACASP1KDM4E
SCHEMBL6413067 0.84 HSD17B10 (0.70) L3MBTL1KMT2ASCN9AKCNH2SCN5A
SCHEMBL6410777 0.84 GAA (0.48) L3MBTL1MAPK1KMT2AHSD17B10GLA
SCHEMBL6415492 0.83 GLA (0.53) L3MBTL1HSD17B10GLACASP1KDM4E
SCHEMBL6420494 0.83 GLA (0.53) L3MBTL1HSD17B10GLACASP1KDM4E
SCHEMBL6413399 0.83 GLA (0.53) L3MBTL1HSD17B10GLACASP1KDM4E
SCHEMBL6418399 0.83 L3MBTL1 (0.47) L3MBTL1MAPK1KMT2AHSD17B10GLA

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 L3MBTL1 1653/4885MAPK1 2656/4885KMT2A 3478/4885

“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.