SCHEMBL6417317

SCHEMBL6417317

COCCNC(=O)C1c2ccccc2C(=O)NC1c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HTT P42858 1/20 0.47
TP53 P04637 2/20 0.44
MDM2 Q00987 1/20 0.44
TSHR P16473 1/20 0.40
LMNA P02545 2/20 0.40
RECQL P46063 1/20 0.40
NPSR1 Q6W5P4 3/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37
TACR1 P25103 2/20 0.37
TACR3 P29371 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GLA P06280 1/20 0.36
CASP1 P29466 1/20 0.36
GUSB P08236 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL6416249 0.86 KDM4E (0.51) MAPTALDH1A1KDM4EHTTTP53
SCHEMBL6418985 0.83 TACR1 (0.44) ALDH1A1LMNATACR1MEN1KMT2A
SCHEMBL6414378 0.82 CYP2C19 (0.41) TACR1
SCHEMBL6417610 0.80 LMNA (0.51) MAPTALDH1A1KDM4EHTTLMNA
SCHEMBL6415621 0.80 P2RX7 (0.39) RXFP1TACR1
SCHEMBL6413224 0.80 ALDH1A1 (0.60) MAPTALDH1A1KDM4EHTTTP53
SCHEMBL6411682 0.80 PKM (0.47) MAPTALDH1A1KDM4EHTTTSHR
SCHEMBL6412811 0.79 NPC1 (0.47) MAPTALDH1A1HTTTSHRLMNA
SCHEMBL6413414 0.79 POLB (0.38) MAPTALDH1A1KDM4EHTTTSHR
SCHEMBL6410860 0.79 TACR1 (0.38) ALDH1A1TACR1MEN1KMT2A

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 MAPT 3291/4885ALDH1A1 1368/4885KDM4E 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.