SCHEMBL6418985

SCHEMBL6418985

O=C1NC(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(C(=O)NCc2ccccc2)c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 5/20 0.44
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
MYC P01106 1/20 0.41
MAX P61244 1/20 0.41
MC4R P32245 2/20 0.40
CCR2 P41597 3/20 0.39
KCNH2 Q12809 1/20 0.39
SCN5A Q14524 1/20 0.39
SCN9A Q15858 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 2/20 0.37
KCNA5 P22460 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL6412312 0.89 TACR1 (0.39) TACR1MEN1KMT2AATMCCR2
SCHEMBL6412811 0.85 NPC1 (0.47) MEN1KMT2AALDH1A1LMNANPC1
SCHEMBL6414378 0.85 CYP2C19 (0.41) TACR1CCR2KCNH2
SCHEMBL6411682 0.84 PKM (0.47) TACR1MEN1KMT2AALDH1A1NPC1
SCHEMBL6410861 0.84 TACR1 (0.38) TACR1MEN1KMT2AATMALDH1A1
SCHEMBL6664525 0.84 TACR1 (0.38) TACR1MEN1KMT2AATMALDH1A1
SCHEMBL6410860 0.84 TACR1 (0.38) TACR1MEN1KMT2AATMALDH1A1
SCHEMBL6413414 0.83 POLB (0.38) TACR1KMT2ACCR2KCNH2SCN5A
SCHEMBL6417317 0.83 MAPT (0.47) TACR1MEN1KMT2AALDH1A1LMNA
SCHEMBL6415621 0.82 P2RX7 (0.39) TACR1

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 TACR1 4639/4885MEN1 4201/4885KMT2A 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.