SCHEMBL810700

SCHEMBL810700

COc1cccc(COc2cccc(N)c2)c1

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 11/20 0.70
CYP3A4 P08684 2/20 0.67
ALDH1A1 P00352 1/20 0.67
IDO1 P14902 2/20 0.62
AGXT P21549 2/20 0.62
APP P05067 2/20 0.59
MRGPRX4 Q96LA9 1/20 0.56
TP53 P04637 1/20 0.56
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53

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
SCHEMBL4638649 0.90 MAOB (0.65) MAOBCYP3A4ALDH1A1APPMRGPRX4
SCHEMBL14854755 0.87 MAOB (0.77) MAOBIDO1AGXTMRGPRX4TP53
SCHEMBL9795738 0.87 MAOB (0.70) MAOBCYP3A4ALDH1A1APPTP53
SCHEMBL21480309 0.85 MAOB (0.64) MAOBCYP3A4ALDH1A1MRGPRX4TP53
SCHEMBL16710547 0.84 MAOB (0.71) MAOBIDO1AGXTAPPMRGPRX4
SCHEMBL5090301 0.84 MAOB (0.68) MAOBIDO1AGXTAPPMRGPRX4
SCHEMBL4638480 0.83 MAOB (0.70) MAOBCYP3A4IDO1APPTP53
SCHEMBL13462942 0.83 MAOB (0.69) MAOBIDO1AGXTAPPMRGPRX4
SCHEMBL13263642 0.82 MAOB (0.79) MAOBIDO1AGXTMRGPRX4TP53
3-(Benzyloxy)Aniline SCHEMBL291445 0.82 MAOB (1.00) MAOBCYP3A4APPTP53RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230100082-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2023-03-30 US disclosed
US-20170073314-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2017-03-16 US disclosed
EP-1971611-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2012-10-10 EP disclosed
EP-2345652-A1 Antiviral compounds Abbott Laboratories (US) 2011-07-20 EP disclosed
US-7915411-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2011-03-29 US disclosed
EP-1971611-A1 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-09-24 EP disclosed
US-20070197558-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-08-23 US disclosed
WO-2007081517-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-19 WO 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-20230100082-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 MAOB 594/4885CYP3A4 1570/4885ALDH1A1 1220/4885
US-20070197558-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 MAOB 3352/4885CYP3A4 273/4885ALDH1A1 2723/4885
US-20170073314-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK1, KLK5 MAOB 621/4885CYP3A4 1447/4885ALDH1A1 1065/4885

“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.