SCHEMBL6417898

SCHEMBL6417898

Cc1cccc(NC(=O)C2c3ccccc3C(=O)N(C)C2c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.69
MAPT P10636 2/20 0.69
KDM4E B2RXH2 1/20 0.69
HSD17B10 Q99714 3/20 0.68
ALOX15 P16050 2/20 0.57
TSHR P16473 2/20 0.57
MAPK1 P28482 1/20 0.56
GAA P10253 2/20 0.54
CYP1A2 P05177 2/20 0.54
CYP2C9 P11712 2/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C19 P33261 1/20 0.54
CNR1 P21554 1/20 0.51
LMNA P02545 2/20 0.50
NPC1 O15118 1/20 0.45
SORT1 Q99523 2/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL6417623 0.91 MAPT (0.56) ALDH1A1MAPTKDM4EHSD17B10ALOX15
SCHEMBL6410164 0.90 MAPT (0.56) ALDH1A1MAPTKDM4EHSD17B10ALOX15
SCHEMBL6412188 0.88 MAPT (0.54) ALDH1A1MAPTKDM4EHSD17B10ALOX15
SCHEMBL6413221 0.87 CYP1A2 (0.55) ALDH1A1MAPTKDM4EHSD17B10ALOX15
SCHEMBL6411648 0.87 HSD17B10 (0.51) ALDH1A1MAPTKDM4EHSD17B10ALOX15
SCHEMBL6413306 0.86 HSD17B10 (0.51) ALDH1A1MAPTKDM4EHSD17B10ALOX15
SCHEMBL6416824 0.86 HSD17B10 (0.51) ALDH1A1MAPTKDM4EHSD17B10ALOX15
SCHEMBL6413379 0.85 TSHR (0.51) ALDH1A1MAPTKDM4EHSD17B10ALOX15
SCHEMBL6416746 0.85 TSHR (0.51) ALDH1A1MAPTKDM4EHSD17B10ALOX15
SCHEMBL6413097 0.84 TSHR (0.54) ALDH1A1MAPTKDM4EHSD17B10ALOX15

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 ALDH1A1 1368/4885MAPT 3291/4885KDM4E 2355/4885

“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.