SCHEMBL6412128

SCHEMBL6412128

COCCNC(=O)C1c2ccccc2C(=O)N(C)C1c1sccc1C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
HTT P42858 3/20 0.55
MAPT P10636 3/20 0.55
KDM4E B2RXH2 2/20 0.55
TP53 P04637 1/20 0.52
MDM2 Q00987 1/20 0.52
TSHR P16473 1/20 0.47
GLA P06280 1/20 0.47
CASP1 P29466 1/20 0.47
NPSR1 Q6W5P4 3/20 0.46
GAA P10253 1/20 0.46
LMNA P02545 1/20 0.44
P2RX7 Q99572 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
ALOX15 P16050 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
HSD17B10 Q99714 2/20 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
SCHEMBL6418388 0.82 MAPK1 (0.60) ALDH1A1HTTMAPTKDM4ETSHR
SCHEMBL6413224 0.81 ALDH1A1 (0.60) ALDH1A1HTTMAPTKDM4ETP53
SCHEMBL6413336 0.80 HTT (0.52) ALDH1A1HTTMAPTTP53TSHR
SCHEMBL6410831 0.79 ALDH1A1 (0.58) ALDH1A1HTTMAPTKDM4ETP53
SCHEMBL6410930 0.76 ALDH1A1 (0.56) ALDH1A1HTTMAPTKDM4ETP53
SCHEMBL6411600 0.76 TP53 (0.65) ALDH1A1HTTMAPTKDM4ETP53
SCHEMBL6412124 0.76 ALDH1A1 (0.56) ALDH1A1HTTMAPTKDM4ETP53
SCHEMBL2333958 0.75 ALDH1A1 (0.70) ALDH1A1HTTMAPTKDM4ETP53
SCHEMBL14425039 0.74 ALDH1A1 (0.68) ALDH1A1HTTMAPTKDM4ETP53
SCHEMBL6412385 0.74 ALDH1A1 (0.74) ALDH1A1HTTMAPTKDM4ETP53

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 2 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
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 ALDH1A1 1368/4885HTT 3051/4885MAPT 3291/4885

“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.