SCHEMBL6417613

SCHEMBL6417613

[CH2]CC(=O)N1CCN(C=O)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.44
TSHR P16473 3/20 0.42
RAB9A P51151 1/20 0.40
LMNA P02545 2/20 0.39
ALDH1A1 P00352 4/20 0.38
TFPI2 P48307 1/20 0.38
AKR1C1 Q04828 1/20 0.38
HSD17B10 Q99714 2/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
USP2 O75604 1/20 0.37
CYP3A4 P08684 1/20 0.37
HPGD P15428 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPT P10636 2/20 0.36
THRB P10828 2/20 0.36
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
MPI P34949 1/20 0.35

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
SCHEMBL8488395 0.80 RECQL (0.45) RECQLTSHRRAB9ALMNAALDH1A1
SCHEMBL9530974 0.78 BLM (0.50) RECQLTSHRRAB9ALMNAALDH1A1
SCHEMBL8488391 0.78 RECQL (0.44) RECQLTSHRRAB9ALMNAALDH1A1
SCHEMBL18712308 0.75 ALDH1A1 (0.43) RECQLTSHRRAB9ALMNAALDH1A1
SCHEMBL19387563 0.75 SIGMAR1 (0.46) RECQLTSHRRAB9ALMNAALDH1A1
SCHEMBL9674149 0.75 LMNA (0.72) RECQLTSHRRAB9ALMNAALDH1A1
SCHEMBL9532280 0.75 L3MBTL1 (0.46) RECQLTSHRRAB9ALMNAALDH1A1
SCHEMBL6050166 0.74
SCHEMBL206420 0.74
SCHEMBL21567946 0.74 TSHR (0.49) RECQLTSHRRAB9ALMNAALDH1A1

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 RECQL 257/4885TSHR 4878/4885RAB9A 2652/4885

“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.