SCHEMBL19085348

SCHEMBL19085348

O=C(O)c1ccc(CNC(=O)[C@@H]2c3ccccc3C(=O)N[C@H]2c2ccc(Cl)cc2Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 2/20 0.43
BRS3 P32247 2/20 0.42
P2RX7 Q99572 2/20 0.40
PTGER4 P35408 4/20 0.40
PTGER2 P43116 1/20 0.39
EPHX2 P34913 2/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
RORC P51449 1/20 0.39
ALDH1A1 P00352 2/20 0.39
HDAC1 Q13547 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
TP53 P04637 1/20 0.38

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 0.87 RORC (0.43) BRS3P2RX7CNR1CNR2RORC
SCHEMBL20620985 0.84 GALK1 (0.40) BRS3P2RX7ALDH1A1MAPTTP53
SCHEMBL13477442 0.83 BRS3 (0.58) BRS3ALDH1A1KDM4EMAPTHPGD
SCHEMBL13477452 0.83 BRS3 (0.44) BRS3P2RX7ALDH1A1KDM4EHPGD
SCHEMBL20620618 0.83 MRGPRX4 (0.42) BRS3P2RX7ALDH1A1KDM4EMAPT
SCHEMBL19085177 0.82 BRS3 (0.46) BRS3P2RX7ALDH1A1KDM4EMAPT
SCHEMBL20620544 0.81 BRS3 (0.40) BRS3P2RX7ALDH1A1KDM4EMAPT
SCHEMBL20620609 0.79 BRS3 (0.41) BRS3P2RX7KDM4EHPGDHTT
SCHEMBL20620494 0.79 BRS3 (0.40) BRS3P2RX7ALDH1A1KDM4EMAPT
SCHEMBL13477501 0.79 NPC1 (0.48) BRS3ALDH1A1KDM4EMAPTHPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190000832-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF Selder Pharma Inc. (US) 2019-01-03 US disclosed
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 (3 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 MDM2 4851/4885BRS3 1/4885P2RX7 815/4885
US-10016410-B2 Tetrahydroisoquinolin-1-one derivative or salt thereof BRS3, BDKRB2, NTSR2 MDM2 4851/4885BRS3 1/4885P2RX7 815/4885
US-20190000832-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF BRS3, BDKRB2, NTSR2 MDM2 4851/4885BRS3 1/4885P2RX7 815/4885

“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.