SCHEMBL19085125

SCHEMBL19085125

NOCc1cccc(OCC=O)c1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 15/20 0.57
AGXT P21549 9/20 0.57
CYP3A4 P08684 2/20 0.47
MAOA P21397 4/20 0.44
MAOB P27338 4/20 0.44

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
SCHEMBL12482566 0.83 NOS1 (0.48) MAOAMAOB
SCHEMBL2559404 0.79 SOD1 (0.51) MAOAMAOB
SCHEMBL14241526 0.79 MAOB (0.42) MAOAMAOB
SCHEMBL29952223 0.79 TSHR (0.53) MAOAMAOB
SCHEMBL8162423 0.78 ALDH1A1 (0.51) CYP3A4MAOAMAOB
SCHEMBL13357758 0.78 PPARD (0.47)
SCHEMBL1246024 0.77 CYP4F2 (0.61) MAOAMAOB
SCHEMBL13477536 0.75 PPARA (0.57) IDO1AGXT
SCHEMBL513678 0.75 CYP3A4 (0.58) CYP3A4MAOAMAOB
SCHEMBL2727598 0.75 CHRNB2 (0.50) CYP3A4

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 IDO1 1364/4885AGXT 4231/4885CYP3A4 3909/4885
US-10016410-B2 Tetrahydroisoquinolin-1-one derivative or salt thereof BRS3, BDKRB2, NTSR2 IDO1 1364/4885AGXT 4231/4885CYP3A4 3909/4885

“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.