SCHEMBL6410778

SCHEMBL6410778

CC(=O)N1CCN(C(=O)C2c3ccccc3C(=O)N(CCC(N)=O)C2c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
HSD17B10 Q99714 1/20 0.46
FFAR1 O14842 4/20 0.43
TSHR P16473 6/20 0.42
ALDH1A1 P00352 6/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
TACR1 P25103 2/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL6414214 0.89 KDM4E (0.59) KDM4EHSD17B10FFAR1TSHRALDH1A1
SCHEMBL6418774 0.86 TSHR (0.54) KDM4EFFAR1TSHRALDH1A1MEN1
SCHEMBL6416799 0.83 FFAR1 (0.42) KDM4EHSD17B10FFAR1ALDH1A1TACR1
SCHEMBL6410783 0.82 ALDH1A1 (0.41) KDM4EHSD17B10TSHRALDH1A1MEN1
SCHEMBL6413189 0.81 GAA (0.43) KDM4ETSHRALDH1A1CYP3A4MAPT
SCHEMBL6414420 0.81 ALDH1A1 (0.43) KDM4EHSD17B10FFAR1TSHRALDH1A1
SCHEMBL6419057 0.79 ALDH1A1 (0.57) KDM4EHSD17B10FFAR1TSHRALDH1A1
SCHEMBL6418311 0.78 ALDH1A1 (0.48) KDM4EHSD17B10FFAR1TSHRALDH1A1
SCHEMBL6414224 0.77 ALDH1A1 (0.54) KDM4EFFAR1TSHRALDH1A1MEN1
SCHEMBL6410875 0.76 TSHR (0.53) KDM4EFFAR1TSHRALDH1A1MEN1

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 KDM4E 2355/4885HSD17B10 1460/4885FFAR1 3873/4885

“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.