SCHEMBL6418388

SCHEMBL6418388

CN1C(=O)c2ccccc2C(C(=O)NCc2ccco2)C1c1sccc1C(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.60
KDM4E B2RXH2 2/20 0.53
KMT2A Q03164 1/20 0.53
ALDH1A1 P00352 4/20 0.49
HTT P42858 1/20 0.48
RECQL P46063 2/20 0.47
PKM P14618 2/20 0.45
TSHR P16473 2/20 0.45
USP2 O75604 1/20 0.45
ALOX15 P16050 1/20 0.45
P2RX7 Q99572 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.41
MAPT P10636 1/20 0.40
POLB P06746 2/20 0.40
PABPC1 P11940 1/20 0.40
EIF4H Q15056 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL6416926 0.82 MAPK1 (0.62) MAPK1KDM4EKMT2AALDH1A1HTT
SCHEMBL6413433 0.82 MAPK1 (0.62) MAPK1KDM4EKMT2AALDH1A1HTT
SCHEMBL6412128 0.82 ALDH1A1 (0.55) KDM4EALDH1A1HTTTSHRALOX15
SCHEMBL6414124 0.80 MAPK1 (0.61) MAPK1KDM4EKMT2AALDH1A1HTT
SCHEMBL6413336 0.78 HTT (0.52) MAPK1ALDH1A1HTTTSHRP2RX7
SCHEMBL6410795 0.78 MAPK1 (0.66) MAPK1KDM4EKMT2AALDH1A1HTT
SCHEMBL6412234 0.77 MAPK1 (0.65) MAPK1KDM4EKMT2AALDH1A1HTT
SCHEMBL6417295 0.77 MAPK1 (0.58) MAPK1KDM4EKMT2AALDH1A1HTT
SCHEMBL6418387 0.77 MAPK1 (0.58) MAPK1KDM4EKMT2AALDH1A1HTT
SCHEMBL14425037 0.76 MAPK1 (0.71) MAPK1KDM4EKMT2AALDH1A1RECQL

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

“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.