SCHEMBL6413323

SCHEMBL6413323

CONC(=O)C1c2ccccc2C(=O)N(C)C1c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.52
MAPT P10636 4/20 0.52
GAA P10253 1/20 0.51
NPC1 O15118 1/20 0.49
TSHR P16473 3/20 0.48
GLA P06280 1/20 0.48
CASP1 P29466 1/20 0.48
ALDH1A1 P00352 6/20 0.47
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
FFAR1 O14842 1/20 0.47
LMNA P02545 2/20 0.47
KDM4E B2RXH2 3/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HTT P42858 2/20 0.45

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
SCHEMBL6419719 0.89 HSD17B10 (0.50) HSD17B10MAPTGAANPC1TSHR
SCHEMBL6414225 0.86 HSD17B10 (0.48) HSD17B10MAPTGAANPC1TSHR
SCHEMBL6413224 0.85 ALDH1A1 (0.60) HSD17B10MAPTGAANPC1TSHR
SCHEMBL6410233 0.85 FFAR1 (0.61) HSD17B10MAPTGAATSHRALDH1A1
SCHEMBL6410237 0.85 FFAR1 (0.61) HSD17B10MAPTGAATSHRALDH1A1
SCHEMBL6413424 0.84 MAPT (0.46) HSD17B10MAPTGAANPC1TSHR
SCHEMBL6415492 0.84 GLA (0.53) HSD17B10MAPTGAANPC1TSHR
SCHEMBL6413399 0.84 GLA (0.53) HSD17B10MAPTGAANPC1TSHR
SCHEMBL6420494 0.84 GLA (0.53) HSD17B10MAPTGAANPC1TSHR
SCHEMBL6411903 0.84 HTT (0.48) HSD17B10MAPTGAANPC1TSHR

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 HSD17B10 1460/4885MAPT 3291/4885GAA 2485/4885

“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.