SCHEMBL6410876

SCHEMBL6410876

CN1C(=O)c2ccccc2C(C(=O)NCCc2c[nH]cn2)C1c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
GLA P06280 1/20 0.46
CASP1 P29466 1/20 0.46
MAPT P10636 3/20 0.44
HTT P42858 3/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
LMNA P02545 2/20 0.44
ALOX15 P16050 2/20 0.43
HSD17B10 Q99714 3/20 0.42
MAPK1 P28482 3/20 0.40
TSHR P16473 3/20 0.39
USP2 O75604 1/20 0.39
PKM P14618 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
KCNH2 Q12809 1/20 0.39
SCN5A Q14524 1/20 0.39
SCN9A Q15858 1/20 0.39
NPC1 O15118 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
SCHEMBL6413399 0.84 GLA (0.53) L3MBTL1GLACASP1MAPTHTT
SCHEMBL6415492 0.84 GLA (0.53) L3MBTL1GLACASP1MAPTHTT
SCHEMBL6420494 0.84 GLA (0.53) L3MBTL1GLACASP1MAPTHTT
SCHEMBL6417863 0.84 HSD17B10 (0.49) L3MBTL1GLACASP1MAPTHTT
SCHEMBL6412389 0.82 GLA (0.51) L3MBTL1GLACASP1MAPTHTT
SCHEMBL6414823 0.82 GLA (0.51) L3MBTL1GLACASP1MAPTHTT
SCHEMBL6412304 0.82 GLA (0.51) L3MBTL1GLACASP1MAPTHTT
SCHEMBL6413224 0.82 ALDH1A1 (0.60) L3MBTL1GLACASP1MAPTHTT
SCHEMBL6661948 0.81 MAPK1 (0.52) L3MBTL1GLACASP1MAPTHTT
SCHEMBL6416741 0.81 L3MBTL1 (0.69) L3MBTL1GLACASP1MAPTHTT

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
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 1653/4885GLA 2255/4885CASP1 12/4885

“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.