SCHEMBL6417610

SCHEMBL6417610

O=C1NC(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(C(=O)NCCN2CCOCC2)c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.51
HTT P42858 1/20 0.51
TACR1 P25103 4/20 0.46
TACR3 P29371 3/20 0.46
CCR2 P41597 1/20 0.45
CD274 Q9NZQ7 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
EPHX2 P34913 3/20 0.42
HSD17B10 Q99714 1/20 0.42
POLB P06746 1/20 0.41
SCN5A Q14524 1/20 0.40
SCN9A Q15858 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 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
SCHEMBL6679824 0.85 TACR1 (0.37) LMNAKDM4EALDH1A1MAPTHTT
SCHEMBL6410747 0.85 TACR1 (0.37) LMNAKDM4EALDH1A1MAPTHTT
SCHEMBL6410751 0.85 TACR1 (0.37) LMNAKDM4EALDH1A1MAPTHTT
SCHEMBL6417317 0.80 MAPT (0.47) LMNAKDM4EALDH1A1MAPTHTT
SCHEMBL6414378 0.80 CYP2C19 (0.41) TACR1CCR2HSD17B10
SCHEMBL6418985 0.79 TACR1 (0.44) LMNAALDH1A1TACR1CCR2MEN1
SCHEMBL6415621 0.78 P2RX7 (0.39) TACR1
SCHEMBL6412811 0.77 NPC1 (0.47) LMNAALDH1A1MAPTHTTMEN1
SCHEMBL6413414 0.77 POLB (0.38) LMNAKDM4EALDH1A1MAPTHTT
SCHEMBL6412312 0.76 TACR1 (0.39) LMNAHTTTACR1CCR2MEN1

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 LMNA 623/4885KDM4E 2355/4885ALDH1A1 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.