SCHEMBL19085228

SCHEMBL19085228

COc1ccnc(CONC(=O)[C@@H]2c3ccccc3C(=O)N[C@H]2c2ccc(Cl)cc2Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 8/20 0.47
TNKS2 Q9H2K2 1/20 0.37
CDYL2 Q8N8U2 1/20 0.35
CDYL Q9Y232 1/20 0.35
P2RX7 Q99572 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
WDR5 P61964 1/20 0.34

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
SCHEMBL13477541 0.83 BRS3 (0.46) BRS3TNKS2P2RX7KDM4EALDH1A1
SCHEMBL19085173 0.83 BRS3 (0.44) BRS3TNKS2P2RX7KDM4EALDH1A1
SCHEMBL20620973 0.83 BRS3 (0.43) BRS3TNKS2P2RX7SMN1; SMN2
SCHEMBL13477501 0.82 NPC1 (0.48) BRS3KDM4EALDH1A1CYP3A4MAPT
SCHEMBL19085244 0.82 BRS3 (0.44) BRS3TNKS2P2RX7KDM4EALDH1A1
SCHEMBL19085137 0.82 BRS3 (0.45) BRS3TNKS2P2RX7KDM4EALDH1A1
SCHEMBL20620580 0.82 BRS3 (0.44) BRS3TNKS2P2RX7KDM4ECYP2C9
SCHEMBL19085322 0.81 BRS3 (0.44) BRS3TNKS2KDM4ECYP2C9CYP2C19
SCHEMBL20620514 0.81 BRS3 (0.44) BRS3TNKS2P2RX7KDM4EALDH1A1
SCHEMBL19085328 0.81 BRS3 (0.42) BRS3TNKS2P2RX7KDM4EALDH1A1

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-10016410-B2 Tetrahydroisoquinolin-1-one derivative or salt thereof SELDAR PHARMA INC. (US) 2018-07-10 US disclosed
US-20170189390-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF SELDAR PHARMA INC. (US) 2017-07-06 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 (2 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-20170189390-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF BRS3, BDKRB2, NTSR2 BRS3 1/4885TNKS2 1217/4885CDYL2 2462/4885
US-10016410-B2 Tetrahydroisoquinolin-1-one derivative or salt thereof BRS3, BDKRB2, NTSR2 BRS3 1/4885TNKS2 1217/4885CDYL2 2462/4885

“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.