SCHEMBL19085177

SCHEMBL19085177

O=C(O)COc1cccc(CNC(=O)[C@@H]2c3ccccc3C(=O)N[C@H]2c2ccc(Cl)cc2Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 3/20 0.46
HTT P42858 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
PLA2G1B P04054 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
FFAR1 O14842 1/20 0.39
KEAP1 Q14145 1/20 0.38
PPARG P37231 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
P2RX7 Q99572 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
SCHEMBL13477520 0.92 RORC (0.43) BRS3HTTL3MBTL1PLA2G1BATG4B
SCHEMBL20620985 0.83 GALK1 (0.40) BRS3NPC1RAB9AALDH1A1MAPT
SCHEMBL19085253 0.83 BRS3 (0.44) BRS3HTTL3MBTL1NPC1RAB9A
SCHEMBL19085348 0.82 MDM2 (0.43) BRS3HTTALDH1A1KDM4EMAPT
SCHEMBL13477442 0.81 BRS3 (0.58) BRS3HTTNPC1RAB9AALDH1A1
SCHEMBL13477452 0.80 BRS3 (0.44) BRS3HTTNPC1RAB9AALDH1A1
SCHEMBL19085207 0.79 BRS3 (0.52) BRS3HTTL3MBTL1ALDH1A1KDM4E
SCHEMBL13477501 0.78 NPC1 (0.48) BRS3HTTL3MBTL1NPC1RAB9A
SCHEMBL20620618 0.77 MRGPRX4 (0.42) BRS3HTTNPC1RAB9AALDH1A1
SCHEMBL20620609 0.77 BRS3 (0.41) BRS3HTTL3MBTL1NPC1RAB9A

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 1/4885HTT 1525/4885L3MBTL1 3158/4885
US-10016410-B2 Tetrahydroisoquinolin-1-one derivative or salt thereof BRS3, BDKRB2, NTSR2 BRS3 1/4885HTT 1525/4885L3MBTL1 3158/4885

“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.