SCHEMBL6413328

SCHEMBL6413328

CN1C(=O)c2ccccc2C(C(=O)NC2CCCC2)C1c1cccc(SC(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.46
MAPT P10636 3/20 0.46
GAA P10253 2/20 0.43
TSHR P16473 6/20 0.43
HTT P42858 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ALDH1A1 P00352 5/20 0.41
GLA P06280 1/20 0.41
CASP1 P29466 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 2/20 0.41
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL6413282 0.86 HSD17B10 (0.48) HSD17B10MAPTGAATSHRHTT
SCHEMBL6414932 0.82 MAPT (0.47) HSD17B10MAPTGAATSHRHTT
SCHEMBL6412124 0.81 ALDH1A1 (0.56) HSD17B10MAPTGAATSHRHTT
SCHEMBL6413218 0.81 HSD17B10 (0.47) HSD17B10MAPTGAATSHRHTT
SCHEMBL6416752 0.80 HSD17B10 (0.50) HSD17B10MAPTGAATSHRHTT
SCHEMBL6418387 0.79 MAPK1 (0.58) HSD17B10MAPTGAATSHRHTT
SCHEMBL6413424 0.78 MAPT (0.46) HSD17B10MAPTGAATSHRHTT
SCHEMBL6413302 0.75 HSD17B10 (0.43) HSD17B10MAPTGAATSHRHTT
SCHEMBL6413336 0.75 HTT (0.52) HSD17B10MAPTGAATSHRHTT
SCHEMBL6417300 0.73 TACR2 (0.43) TSHRALDH1A1CYP3A4CYP2C9CYP2C19

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.