SCHEMBL6413435

SCHEMBL6413435

CN1C(=O)c2ccccc2C(C(=O)Nc2cccnc2)C1c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.52
CYP3A4 P08684 5/20 0.51
CYP2C9 P11712 5/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
HSD17B10 Q99714 4/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NPC1 O15118 1/20 0.49
CYP1A2 P05177 2/20 0.47
ALDH1A1 P00352 2/20 0.46
TSHR P16473 1/20 0.45
ALOX15 P16050 1/20 0.44
CYP2C19 P33261 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TRPM8 Q7Z2W7 1/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL6410201 0.90 GAA (0.52) GAACYP3A4CYP2C9MEN1KMT2A
SCHEMBL6411959 0.86 CYP2C9 (0.51) GAACYP3A4CYP2C9MEN1KMT2A
SCHEMBL6412806 0.86 TSHR (0.46) GAACYP3A4CYP2C9MEN1KMT2A
SCHEMBL6413067 0.85 HSD17B10 (0.70) CYP3A4CYP2C9MEN1KMT2AHSD17B10
SCHEMBL6410777 0.85 GAA (0.48) GAACYP2C9KMT2AHSD17B10SMN1; SMN2
SCHEMBL6410788 0.85 GAA (0.51) GAACYP3A4CYP2C9MEN1KMT2A
SCHEMBL6413221 0.83 CYP1A2 (0.55) GAACYP3A4CYP2C9HSD17B10NPC1
SCHEMBL6419719 0.83 HSD17B10 (0.50) GAACYP3A4MEN1KMT2AHSD17B10
SCHEMBL6414250 0.83 TSHR (0.49) GAACYP3A4CYP2C9MEN1KMT2A
SCHEMBL6413166 0.82 GAA (0.45) GAACYP3A4CYP2C9MEN1KMT2A

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 2485/4885CYP3A4 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.