SCHEMBL2934677

SCHEMBL2934677

O=C1/C(=N\O)Cc2cc(OCc3ccccc3)ccc21

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 13/20 0.56
MAOA P21397 11/20 0.56
ALDH1A1 P00352 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C19 P33261 1/20 0.54
TOP1 P11387 1/20 0.51
HRH3 Q9Y5N1 1/20 0.48
NPC1 O15118 1/20 0.47
HPGD P15428 1/20 0.47
NFKB1 P19838 1/20 0.47
GRM5 P41594 1/20 0.47
RAB9A P51151 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
GSTP1 P09211 1/20 0.47

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
SCHEMBL2934679 1.00 MAOB (0.56) MAOBMAOAALDH1A1CYP1A2CYP2C19
SCHEMBL4429069 0.87 MAOB (0.57) MAOBMAOAALDH1A1CYP1A2CYP2C19
SCHEMBL4429073 0.87 MAOB (0.57) MAOBMAOAALDH1A1CYP1A2CYP2C19
SCHEMBL16548245 0.83 ALDH1A1 (0.49) MAOBMAOAALDH1A1CYP1A2CYP2C19
SCHEMBL3759785 0.82 MAOB (0.74) MAOBMAOAALDH1A1TOP1HRH3
SCHEMBL9487904 0.81 MAOB (0.58) MAOBMAOAALDH1A1CYP1A2CYP2C19
SCHEMBL9487908 0.81 MAOB (0.58) MAOBMAOAALDH1A1CYP1A2CYP2C19
SCHEMBL3968567 0.79 CHRNA7 (0.47) ALDH1A1CYP1A2CYP2C19NPC1HPGD
SCHEMBL3968568 0.79 CHRNA7 (0.47) ALDH1A1CYP1A2CYP2C19NPC1HPGD
SCHEMBL13716591 0.79 CHRNA7 (0.47) ALDH1A1CYP1A2CYP2C19NPC1HPGD

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 11 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
US-9526719-B2 Tetrahydroisoquinolin-1-one derivative or salt thereof SELDAR PHARMA INC. (US) 2016-12-27 US disclosed
US-20150359787-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF SELDAR PHARMA INC. (US) 2015-12-17 US disclosed
US-9150541-B2 Tetrahydroisoquinolin-1-one derivative or salt thereof SELDAR PHARMA INC. (US) 2015-10-06 US disclosed
EP-2149561-B1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF SELDAR PHARMA INC (US) 2015-09-09 EP disclosed
US-20140058100-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF SELDAR PHARMA INC. (US) 2014-02-27 US disclosed
US-8486970-B2 Tetrahydroisoquinolin-1-one derivative or salt thereof SELDAR PHARMA INC. (US) 2013-07-16 US disclosed
US-20100227866-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-09-09 US disclosed
EP-2149561-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2010-02-03 EP 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 (6 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 MAOB 3167/4885MAOA 4063/4885ALDH1A1 4647/4885
US-20150359787-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF BRS3, BDKRB2, NTSR2 MAOB 3167/4885MAOA 4063/4885ALDH1A1 4647/4885
US-10016410-B2 Tetrahydroisoquinolin-1-one derivative or salt thereof BRS3, BDKRB2, NTSR2 MAOB 3167/4885MAOA 4063/4885ALDH1A1 4647/4885
US-20100227866-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF BRS3, BDKRB2, NTSR2 MAOB 3290/4885MAOA 4102/4885ALDH1A1 4710/4885
US-20140058100-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF BRS3, BDKRB2, NTSR2 MAOB 3167/4885MAOA 4063/4885ALDH1A1 4647/4885
US-20190000832-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF BRS3, BDKRB2, NTSR2 MAOB 3167/4885MAOA 4063/4885ALDH1A1 4647/4885

“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.