SCHEMBL6411515

SCHEMBL6411515

O=C1NC(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(C(=O)NC2CCCC2)c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
EPHX2 P34913 3/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 1/20 0.38
RECQL P46063 1/20 0.38
PARP1 P09874 1/20 0.37
GAA P10253 1/20 0.37
TACR1 P25103 5/20 0.37
ACKR3 P25106 1/20 0.36
HPGD P15428 1/20 0.36
TACR2 P21452 1/20 0.35

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
SCHEMBL6415621 0.84 P2RX7 (0.39) TACR1
SCHEMBL6414378 0.83 CYP2C19 (0.41) TACR1
SCHEMBL6410860 0.81 TACR1 (0.38) TACR1
SCHEMBL6410861 0.81 TACR1 (0.38) TACR1
SCHEMBL6664525 0.81 TACR1 (0.38) TACR1
SCHEMBL6418985 0.80 TACR1 (0.44) LMNATACR1
SCHEMBL6410747 0.79 TACR1 (0.37) TSHRHTTLMNAGAATACR1
SCHEMBL6410751 0.79 TACR1 (0.37) TSHRHTTLMNAGAATACR1
SCHEMBL6679824 0.79 TACR1 (0.37) TSHRHTTLMNAGAATACR1
SCHEMBL6414932 0.78 MAPT (0.47) TSHRHTTL3MBTL1GAA

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 TSHR 4878/4885EPHX2 3581/4885HTT 3051/4885

“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.