SCHEMBL6417684

SCHEMBL6417684

CN(C)C(=O)CCN1C(=O)c2ccccc2C(C(=O)NCC2CC2)C1c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
ALDH1A1 P00352 3/20 0.44
NPSR1 Q6W5P4 3/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.44
HTT P42858 2/20 0.44
GAA P10253 1/20 0.41
FFAR1 O14842 7/20 0.41
GLA P06280 1/20 0.40
CASP1 P29466 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.38
TP53 P04637 1/20 0.38
MDM2 Q00987 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
LMNA P02545 4/20 0.37
MAPK1 P28482 1/20 0.36

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
SCHEMBL6410919 0.88 TSHR (0.45) TSHRALDH1A1NPSR1KDM4EMAPT
SCHEMBL6412106 0.87 GAA (0.46) TSHRALDH1A1NPSR1KDM4EMAPT
SCHEMBL6418778 0.86 ALDH1A1 (0.61) TSHRALDH1A1NPSR1KDM4EMAPT
SCHEMBL6414420 0.86 ALDH1A1 (0.43) TSHRALDH1A1NPSR1KDM4EMAPT
SCHEMBL6412345 0.85 GLA (0.47) TSHRALDH1A1NPSR1KDM4EMAPT
SCHEMBL6416277 0.85 ALDH1A1 (0.42) TSHRALDH1A1NPSR1KDM4EMAPT
SCHEMBL6411479 0.84 ALDH1A1 (0.51) TSHRALDH1A1NPSR1KDM4EMAPT
SCHEMBL6418372 0.82 LMNA (0.47) TSHRALDH1A1NPSR1KDM4EMAPT
SCHEMBL6417873 0.81 MDM2 (0.51) ALDH1A1NPSR1KDM4EMAPTHTT
SCHEMBL6412309 0.80 LMNA (0.45) TSHRALDH1A1NPSR1KDM4EMAPT

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 TSHR 4878/4885ALDH1A1 1368/4885NPSR1 4805/4885

“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.