SCHEMBL19085244

SCHEMBL19085244

O=C1N[C@@H](c2ccc(Cl)cc2Cl)[C@H](C(=O)NOCc2cccc(CO)n2)c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 9/20 0.44
DPP4 P27487 1/20 0.35
HTT P42858 3/20 0.35
KDM4E B2RXH2 2/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
GAA P10253 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPK1 P28482 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 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
SCHEMBL19085173 0.90 BRS3 (0.44) BRS3HTTKDM4ELMNACYP1A2
SCHEMBL19085322 0.90 BRS3 (0.44) BRS3DPP4HTTKDM4ELMNA
SCHEMBL17349827 0.90 MRGPRX4 (0.48) BRS3MRGPRX4
SCHEMBL20620514 0.86 BRS3 (0.44) BRS3HTTKDM4ELMNACYP1A2
SCHEMBL13477501 0.86 NPC1 (0.48) BRS3HTTKDM4ELMNACYP1A2
SCHEMBL13477541 0.85 BRS3 (0.46) BRS3HTTKDM4ELMNACYP1A2
SCHEMBL19085191 0.84 BRS3 (0.47) BRS3HTTKDM4ELMNACYP1A2
SCHEMBL20620580 0.83 BRS3 (0.44) BRS3HTTKDM4ELMNACYP1A2
SCHEMBL20620617 0.82 BRS3 (0.44) BRS3HTTKDM4ELMNACYP1A2
SCHEMBL20621045 0.82 BRS3 (0.44) BRS3HTTKDM4ELMNACYP1A2

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 1/4885DPP4 1852/4885HTT 1525/4885
US-10016410-B2 Tetrahydroisoquinolin-1-one derivative or salt thereof BRS3, BDKRB2, NTSR2 BRS3 1/4885DPP4 1852/4885HTT 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.