SCHEMBL4935204

SCHEMBL4935204

NCc1ccnc(OC2CCOC2)c1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 8/20 0.66
LOX P28300 4/20 0.66
IKBKE Q14164 1/20 0.43
TBK1 Q9UHD2 1/20 0.43
LRRK2 Q5S007 2/20 0.41
HDAC6 Q9UBN7 1/20 0.40
ACACB O00763 4/20 0.39
KRAS P01116 1/20 0.38
SOS1 Q07889 1/20 0.38
LOXL3 P58215 1/20 0.38
CSNK2A1 P68400 2/20 0.37
GRM4 Q14833 1/20 0.36

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
SCHEMBL4932984 0.92 LOXL2 (0.74) LOXL2LOXIKBKETBK1LRRK2
SCHEMBL25207220 0.88 LOXL2 (0.68) LOXL2LOXIKBKETBK1LOXL3
SCHEMBL20890036 0.86 LOX (0.48) LOXL2LOXLRRK2HDAC6ACACB
SCHEMBL25260001 0.81 LOXL2 (0.91) LOXL2LOXIKBKETBK1LOXL3
SCHEMBL2600007 0.81 LOXL2 (0.97) LOXL2LOXIKBKETBK1LOXL3
SCHEMBL18049156 0.80 LOXL2 (1.00) LOXL2LOXIKBKETBK1LRRK2
SCHEMBL4936674 0.80 LOXL2 (0.50) LOXL2LOXIKBKETBK1ACACB
SCHEMBL29483288 0.79 ACACB (0.43) LOXL2LOXLRRK2ACACBKRAS
SCHEMBL8277618 0.78 LRRK2 (0.49) LOXL2LOXLRRK2HDAC6ACACB
SCHEMBL3705097 0.78 LRRK2 (0.43) LOXL2LOXLRRK2HDAC6ACACB

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-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
EP-1740551-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF AS AN MMP-13 INHIBITOR Takeda Pharmaceutical Company Limited (JP) 2007-01-10 EP disclosed
WO-2005105760-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF AS AN MMP-13 INHIBITOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-11-10 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 (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 LOXL2 2869/4885LOX 2210/4885IKBKE 652/4885
US-20080027050-A1 Heterocyclic Amide Compound and Use Thereof as an Mmp-13 Inhibitor(Amended Ex Officio) MMP13, HDAC11, HDAC1 LOXL2 3474/4885LOX 1715/4885IKBKE 1176/4885

“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.