SCHEMBL6412043

SCHEMBL6412043

CN1C(=O)c2ccccc2C(C(=O)NCc2ccoc2)C1c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.49
MAPK1 P28482 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
TSHR P16473 2/20 0.44
ALOX15 P16050 2/20 0.44
USP2 O75604 1/20 0.44
PKM P14618 1/20 0.44
GLA P06280 1/20 0.44
CASP1 P29466 1/20 0.44
LMNA P02545 3/20 0.44
HTT P42858 2/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
P2RX7 Q99572 1/20 0.41
MEN1 O00255 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
KMT2A Q03164 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL6418322 0.89 HSD17B10 (0.55) HSD17B10MAPK1L3MBTL1TSHRALOX15
SCHEMBL6410227 0.86 HSD17B10 (0.56) HSD17B10MAPK1L3MBTL1TSHRALOX15
SCHEMBL6416926 0.85 MAPK1 (0.62) HSD17B10MAPK1L3MBTL1TSHRALOX15
SCHEMBL6413433 0.85 MAPK1 (0.62) HSD17B10MAPK1L3MBTL1TSHRALOX15
SCHEMBL6413067 0.83 HSD17B10 (0.70) HSD17B10L3MBTL1GLACASP1ALDH1A1
SCHEMBL6420424 0.82 TSHR (0.63) HSD17B10MAPK1L3MBTL1TSHRALOX15
SCHEMBL6420494 0.82 GLA (0.53) HSD17B10L3MBTL1TSHRALOX15GLA
SCHEMBL6415492 0.82 GLA (0.53) HSD17B10L3MBTL1TSHRALOX15GLA
SCHEMBL6413399 0.82 GLA (0.53) HSD17B10L3MBTL1TSHRALOX15GLA
SCHEMBL6418399 0.82 L3MBTL1 (0.47) HSD17B10MAPK1L3MBTL1TSHRALOX15

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 1460/4885MAPK1 2656/4885L3MBTL1 1653/4885

“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.