SCHEMBL6417894

SCHEMBL6417894

CC(C(N)=O)N1C(=O)c2ccccc2C(C(=O)NC2CCN(Cc3ccccc3)CC2)C1c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
UBE2M P61081 2/20 0.46
DCUN1D1 Q96GG9 2/20 0.46
SIGMAR1 Q99720 6/20 0.46
SLC6A5 Q9Y345 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
DRD4 P21917 3/20 0.40
TACR1 P25103 2/20 0.40
TACR2 P21452 1/20 0.40
ACKR3 P25106 1/20 0.40
DRD2 P14416 1/20 0.40
MAOB P27338 1/20 0.40

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
SCHEMBL6417356 0.96 DRD2 (0.46) UBE2MDCUN1D1SIGMAR1DRD4TACR1
SCHEMBL6417889 0.85 UBE2M (0.47) UBE2MDCUN1D1SIGMAR1SLC6A5MEN1
SCHEMBL6417353 0.81 DRD2 (0.47) UBE2MDCUN1D1SIGMAR1MEN1KMT2A
SCHEMBL6410694 0.80 TSHR (0.58)
SCHEMBL6410223 0.77 ALDH1A1 (0.42)
SCHEMBL6411735 0.75 KCNA5 (0.43) TACR1
SCHEMBL6413424 0.75 MAPT (0.46) MEN1KMT2A
SCHEMBL6411908 0.74 KCNA5 (0.43) TACR1
SCHEMBL6413218 0.74 HSD17B10 (0.47)
SCHEMBL6416804 0.73 TACR1 (0.34) MEN1KMT2ATACR1

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
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

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 UBE2M 2997/4885DCUN1D1 901/4885SIGMAR1 4329/4885

“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.