SCHEMBL6412309

SCHEMBL6412309

CN1C(=O)c2ccccc2C(C(=O)NCC2CCNCC2)C1c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
MAPK1 P28482 2/20 0.45
GLA P06280 1/20 0.44
CASP1 P29466 1/20 0.44
ALDH1A1 P00352 4/20 0.44
MAPT P10636 3/20 0.44
HTT P42858 3/20 0.44
KDM4E B2RXH2 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
HSD17B10 Q99714 2/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 3/20 0.41
ALOX15 P16050 2/20 0.41
USP2 O75604 1/20 0.41
PKM P14618 1/20 0.41
NPC1 O15118 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
FFAR1 O14842 1/20 0.39
POLB P06746 1/20 0.39
KCNH2 Q12809 1/20 0.38

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
SCHEMBL6412345 0.94 GLA (0.47) LMNAMAPK1GLACASP1ALDH1A1
SCHEMBL6418372 0.92 LMNA (0.47) LMNAMAPK1GLACASP1ALDH1A1
SCHEMBL6416797 0.88 GAA (0.44) LMNAMAPK1GLACASP1ALDH1A1
SCHEMBL6413302 0.86 HSD17B10 (0.43) LMNAGLACASP1ALDH1A1MAPT
SCHEMBL6413426 0.83 POLB (0.42) LMNAMAPK1GLACASP1ALDH1A1
SCHEMBL6416816 0.83 LMNA (0.64) LMNAMAPK1GLACASP1ALDH1A1
SCHEMBL6415492 0.82 GLA (0.53) LMNAGLACASP1ALDH1A1MAPT
SCHEMBL6420494 0.82 GLA (0.53) LMNAGLACASP1ALDH1A1MAPT
SCHEMBL6413399 0.82 GLA (0.53) LMNAGLACASP1ALDH1A1MAPT
SCHEMBL6418795 0.82 TSHR (0.41) LMNAMAPK1GLACASP1ALDH1A1

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 LMNA 623/4885MAPK1 2656/4885GLA 2255/4885

“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.