SCHEMBL6413488

SCHEMBL6413488

COc1ccc(CN2C(=O)c3ccccc3C(C(=O)O)C2c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(OC)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 6/20 0.54
ALDH1A1 P00352 4/20 0.53
LMNA P02545 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MAPT P10636 2/20 0.52
F2 P00734 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
POLB P06746 2/20 0.47
RECQL P46063 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
STING1 Q86WV6 1/20 0.47
MDM2 Q00987 3/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46

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
SCHEMBL6418628 1.00 FFAR1 (0.54) FFAR1ALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL6413484 1.00 FFAR1 (0.54) FFAR1ALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL6416757 0.80 FFAR1 (0.56) FFAR1ALDH1A1MAPTMEN1KMT2A
SCHEMBL6411589 0.75 MDM2 (0.68) FFAR1ALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL6410237 0.75 FFAR1 (0.61) FFAR1ALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL6410233 0.75 FFAR1 (0.61) FFAR1ALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL6417873 0.74 MDM2 (0.51) FFAR1ALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL3871491 0.72 MAPT (0.76) FFAR1ALDH1A1MAPTSTING1MDM2
SCHEMBL10742804 0.70 ALDH1A1 (0.52) ALDH1A1LMNASMN1; SMN2MAPTF2
SCHEMBL3928404 0.70 ALDH1A1 (0.58) ALDH1A1LMNASMN1; SMN2MAPTF2

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 2 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 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 FFAR1 3873/4885ALDH1A1 1368/4885LMNA 623/4885

“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.