SCHEMBL6418740

SCHEMBL6418740

Cc1ccc2c(c1)C(=O)N(C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C2C(=O)NCc1ccco1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
MAPK1 P28482 1/20 0.51
KDM4E B2RXH2 1/20 0.51
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 2/20 0.43
RECQL P46063 1/20 0.43
POLB P06746 3/20 0.43
PKM P14618 2/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
USP2 O75604 2/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ELANE P08246 1/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL6413420 0.93 KMT2A (0.51) KMT2AMAPK1KDM4ENPC1ALDH1A1
SCHEMBL6413433 0.91 MAPK1 (0.62) KMT2AMAPK1KDM4ENPC1ALDH1A1
SCHEMBL6416926 0.91 MAPK1 (0.62) KMT2AMAPK1KDM4ENPC1ALDH1A1
SCHEMBL6411886 0.89 KMT2A (0.55) KMT2AMAPK1KDM4ENPC1ALDH1A1
SCHEMBL6411956 0.87 KMT2A (0.69) KMT2AMAPK1KDM4EALDH1A1MEN1
SCHEMBL6414124 0.85 MAPK1 (0.61) KMT2AMAPK1KDM4EALDH1A1MEN1
SCHEMBL6411266 0.82 L3MBTL1 (0.58) KMT2AMAPK1NPC1ALDH1A1MEN1
SCHEMBL6661948 0.82 MAPK1 (0.52) KMT2AMAPK1KDM4ENPC1ALDH1A1
SCHEMBL6410795 0.81 MAPK1 (0.66) KMT2AMAPK1KDM4EALDH1A1RECQL
SCHEMBL6418414 0.81 ALDH1A1 (0.47) KMT2AMAPK1KDM4EALDH1A1MEN1

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 KMT2A 3478/4885MAPK1 2656/4885KDM4E 2355/4885

“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.