SCHEMBL6417873

SCHEMBL6417873

COc1ccc(CN2C(=O)c3ccccc3C(C(=O)NCC3CC3)C2c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 4/20 0.51
TP53 P04637 1/20 0.51
ALDH1A1 P00352 4/20 0.44
NPSR1 Q6W5P4 3/20 0.44
FFAR1 O14842 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 3/20 0.43
KDM4E B2RXH2 1/20 0.42
HTT P42858 1/20 0.42
MAPK1 P28482 2/20 0.41
GAA P10253 1/20 0.41
LMNA P02545 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GSK3B P49841 1/20 0.41

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
SCHEMBL6411589 0.88 MDM2 (0.68) MDM2TP53ALDH1A1NPSR1FFAR1
SCHEMBL6412345 0.82 GLA (0.47) ALDH1A1NPSR1FFAR1MAPTKDM4E
SCHEMBL6417684 0.81 TSHR (0.44) MDM2TP53ALDH1A1NPSR1FFAR1
SCHEMBL6418372 0.79 LMNA (0.47) ALDH1A1NPSR1FFAR1MAPTKDM4E
SCHEMBL6414420 0.78 ALDH1A1 (0.43) MDM2TP53ALDH1A1NPSR1FFAR1
SCHEMBL2938982 0.78 ALDH1A1 (0.53) MDM2TP53ALDH1A1NPSR1FFAR1
SCHEMBL6416277 0.77 ALDH1A1 (0.42) MDM2TP53ALDH1A1NPSR1FFAR1
SCHEMBL15853601 0.77 MDM2 (0.53) MDM2TP53ALDH1A1NPSR1FFAR1
SCHEMBL6412309 0.77 LMNA (0.45) ALDH1A1NPSR1FFAR1MAPTKDM4E
SCHEMBL6416797 0.75 GAA (0.44) ALDH1A1NPSR1MAPTKDM4EHTT

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 MDM2 689/4885TP53 24/4885ALDH1A1 1368/4885

“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.