SCHEMBL4934577

SCHEMBL4934577

COc1cccc(COc2cc(CN)ccn2)c1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.65
LOXL2 Q9Y4K0 6/20 0.60
LOX P28300 4/20 0.60
IDO1 P14902 2/20 0.53
AGXT P21549 2/20 0.53
TAAR1 Q96RJ0 1/20 0.49
MPO P05164 1/20 0.46
ABCB1 P08183 1/20 0.46
NR3C2 P08235 1/20 0.46

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
SCHEMBL4926749 0.84 LOXL2 (0.66) MAOBLOXL2LOXIDO1AGXT
SCHEMBL23316746 0.83 LOXL2 (0.59) MAOBLOXL2LOXIDO1TAAR1
SCHEMBL8279830 0.83 MAOB (0.61) MAOBIDO1AGXTMPOABCB1
SCHEMBL30931616 0.83 LOXL2 (0.59) MAOBLOXL2LOXIDO1TAAR1
SCHEMBL30931622 0.81 LOXL2 (0.66) MAOBLOXL2LOX
SCHEMBL4927819 0.81 LOXL2 (0.66) MAOBLOXL2LOX
SCHEMBL4927760 0.80 MAOB (0.61) MAOBLOXL2LOXIDO1AGXT
SCHEMBL30931656 0.80 MAOB (0.61) MAOBLOXL2LOXIDO1AGXT
SCHEMBL30931617 0.80 MAOB (0.61) MAOBLOXL2LOXIDO1AGXT
SCHEMBL42954 0.80 TAAR1 (0.71) MAOBIDO1AGXTTAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9475822-B2 Substituted 2- amidoquinazol-4-ones as matrix metalloproteinase-13 inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-10-25 US disclosed
US-9212149-B2 Substituted 2-amidoquinazol-4-ones as matrix metalloproteinase-13 inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-12-15 US disclosed
US-20150329556-A1 SUBSTITUTED 2- AMIDOQUINAZOL-4-ONES AS MATRIX METALLOPROTEINASE-13 INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2015-11-19 US disclosed
EP-1740551-B9 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF AS AN MMP-13 INHIBITOR TAKEDA PHARMACEUTICAL (JP) 2013-01-16 EP disclosed
EP-1740551-B1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF AS AN MMP-13 INHIBITOR TAKEDA PHARMACEUTICAL (JP) 2012-09-12 EP disclosed
US-20080027050-A1 Heterocyclic Amide Compound and Use Thereof as an Mmp-13 Inhibitor(Amended Ex Officio) TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-31 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-20150329556-A1 SUBSTITUTED 2- AMIDOQUINAZOL-4-ONES AS MATRIX METALLOPROTEINASE-13 INHIBITORS MMP13, MMP14, MMP25 MAOB 512/4885LOXL2 2869/4885LOX 2210/4885
US-20080027050-A1 Heterocyclic Amide Compound and Use Thereof as an Mmp-13 Inhibitor(Amended Ex Officio) MMP13, HDAC11, HDAC1 MAOB 192/4885LOXL2 3474/4885LOX 1715/4885

“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.