SCHEMBL6413414

SCHEMBL6413414

Cc1ccc(CNC(=O)C2c3ccccc3C(=O)NC2c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.38
TACR1 P25103 3/20 0.37
KDM4E B2RXH2 3/20 0.36
MAPT P10636 3/20 0.36
ALDH1A1 P00352 3/20 0.36
RECQL P46063 2/20 0.36
GAA P10253 2/20 0.36
KMT2A Q03164 1/20 0.35
P2RX7 Q99572 2/20 0.34
LMNA P02545 1/20 0.34
SCN9A Q15858 2/20 0.33
HTT P42858 1/20 0.33
KCNH2 Q12809 1/20 0.33
SCN5A Q14524 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
USP2 O75604 1/20 0.33
PKM P14618 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL6418985 0.83 TACR1 (0.44) TACR1ALDH1A1KMT2ALMNASCN9A
SCHEMBL6411682 0.81 PKM (0.47) TACR1KDM4EMAPTALDH1A1KMT2A
SCHEMBL6412811 0.79 NPC1 (0.47) POLBMAPTALDH1A1RECQLGAA
SCHEMBL6417317 0.79 MAPT (0.47) TACR1KDM4EMAPTALDH1A1RECQL
SCHEMBL6414378 0.79 CYP2C19 (0.41) TACR1KCNH2CCR2
SCHEMBL6412312 0.79 TACR1 (0.39) POLBTACR1GAAKMT2AP2RX7
SCHEMBL6417610 0.77 LMNA (0.51) POLBTACR1KDM4EMAPTALDH1A1
SCHEMBL6415621 0.76 P2RX7 (0.39) TACR1P2RX7RXFP1
SCHEMBL6410860 0.75 TACR1 (0.38) TACR1ALDH1A1KMT2A
SCHEMBL6410861 0.75 TACR1 (0.38) TACR1ALDH1A1KMT2A

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 2 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
US-20050124614-A1 3,4-Dihydroisoquinolin-1-one derivatives as inducers of apoptosis AXYS PHARMACEUTICALS, INC. (US) 2005-06-09 US 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 POLB 2345/4885TACR1 4639/4885KDM4E 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.