SCHEMBL6420519

SCHEMBL6420519

CC(N1CCOCC1)N1C(=O)c2ccccc2C(C(=O)NCc2ccco2)C1c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.46
RECQL P46063 2/20 0.44
ALDH1A1 P00352 5/20 0.42
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.40
KDM4E B2RXH2 4/20 0.40
LMNA P02545 3/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 2/20 0.40
TSHR P16473 2/20 0.39
PKM P14618 2/20 0.39
KMT2A Q03164 1/20 0.38
GAA P10253 1/20 0.38
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ALOX15 P16050 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL6418274 0.88 MAPK1 (0.51) MAPK1RECQLALDH1A1NPC1POLB
SCHEMBL6413433 0.84 MAPK1 (0.62) MAPK1RECQLALDH1A1NPC1POLB
SCHEMBL6416926 0.84 MAPK1 (0.62) MAPK1RECQLALDH1A1NPC1POLB
SCHEMBL2937775 0.84 ALDH1A1 (0.49) MAPK1RECQLALDH1A1NPC1KDM4E
SCHEMBL6418317 0.84 MAPK1 (0.45) MAPK1RECQLALDH1A1NPC1POLB
SCHEMBL2936627 0.81 RECQL (0.51) MAPK1RECQLALDH1A1NPC1POLB
SCHEMBL6418276 0.80 ALDH1A1 (0.54) MAPK1RECQLALDH1A1NPC1KDM4E
SCHEMBL6414124 0.78 MAPK1 (0.61) MAPK1RECQLALDH1A1POLBKDM4E
SCHEMBL6413407 0.78 ALDH1A1 (0.66) MAPK1RECQLALDH1A1NPC1KDM4E
SCHEMBL6418311 0.77 ALDH1A1 (0.48) MAPK1RECQLALDH1A1NPC1KDM4E

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 MAPK1 2656/4885RECQL 257/4885ALDH1A1 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.