SCHEMBL19085173

SCHEMBL19085173

O=C1N[C@@H](c2ccc(Cl)cc2Cl)[C@H](C(=O)NOCc2cnc(CO)cn2)c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 9/20 0.44
TNKS2 Q9H2K2 1/20 0.36
HTT P42858 3/20 0.34
KDM4E B2RXH2 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
GAA P10253 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
ALOX15 P16050 1/20 0.34
ALOX12 P18054 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
P2RX7 Q99572 1/20 0.33
ALDH1A1 P00352 3/20 0.32
MAPT P10636 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL20620514 0.91 BRS3 (0.44) BRS3TNKS2HTTKDM4ESMN1; SMN2
SCHEMBL19085244 0.90 BRS3 (0.44) BRS3TNKS2HTTKDM4ESMN1; SMN2
SCHEMBL13477541 0.90 BRS3 (0.46) BRS3TNKS2HTTKDM4ESMN1; SMN2
SCHEMBL20620580 0.88 BRS3 (0.44) BRS3TNKS2HTTKDM4ESMN1; SMN2
SCHEMBL19085249 0.86 BRS3 (0.43) BRS3TNKS2
SCHEMBL13477501 0.85 NPC1 (0.48) BRS3HTTKDM4ESMN1; SMN2LMNA
SCHEMBL19085322 0.84 BRS3 (0.44) BRS3TNKS2HTTKDM4ESMN1; SMN2
SCHEMBL19085191 0.84 BRS3 (0.47) BRS3HTTKDM4ESMN1; SMN2LMNA
SCHEMBL17349827 0.83 MRGPRX4 (0.48) BRS3
SCHEMBL19085228 0.83 BRS3 (0.47) BRS3TNKS2KDM4ESMN1; SMN2CYP2C9

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 1217/4885HTT 1525/4885
US-10016410-B2 Tetrahydroisoquinolin-1-one derivative or salt thereof BRS3, BDKRB2, NTSR2 BRS3 1/4885TNKS2 1217/4885HTT 1525/4885

“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.