SCHEMBL363026

SCHEMBL363026

O=C(O)c1coc(-c2cccnc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.59
MKNK1 Q9BUB5 4/20 0.58
MKNK2 Q9HBH9 4/20 0.58
ALDH1A1 P00352 3/20 0.53
APP P05067 1/20 0.53
GAA P10253 1/20 0.53
HCAR3 P49019 1/20 0.53
HCAR2 Q8TDS4 1/20 0.53
IP6K1 Q92551 1/20 0.50
IP6K3 Q96PC2 1/20 0.50
IP6K2 Q9UHH9 1/20 0.50
NR4A2 P43354 1/20 0.49
PIM1 P11309 1/20 0.46
PIM2 Q9P1W9 1/20 0.46
ABL1 P00519 1/20 0.44
BCR P11274 1/20 0.44
PRKCA P17252 1/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2A6 P11509 2/20 0.44
CYP1A2 P05177 1/20 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
SCHEMBL27605054 0.89 KMO (0.49) KMOMKNK1MKNK2ALDH1A1APP
SCHEMBL3972917 0.81 NR4A2 (0.64) KMOALDH1A1IP6K1IP6K3IP6K2
SCHEMBL4183564 0.80 NR4A2 (0.58) KMOALDH1A1APPGAAHCAR3
SCHEMBL363027 0.79 KMO (0.43) KMOMKNK1MKNK2ALDH1A1IP6K1
SCHEMBL21249399 0.78 CYP19A1 (0.51) MKNK1MKNK2ALDH1A1CYP3A4CYP2A6
SCHEMBL17089048 0.76 KMO (0.77) KMOMKNK1MKNK2ALDH1A1APP
SCHEMBL10028699 0.76 KMO (0.77) KMOMKNK1MKNK2ALDH1A1APP
SCHEMBL29503876 0.76 KMO (0.77) KMOMKNK1MKNK2ALDH1A1APP
SCHEMBL6194452 0.75 CYP3A4 (0.55) ALDH1A1CYP3A4CYP2A6CYP1A2CYP19A1
SCHEMBL206541 0.75 KMO (1.00) KMOMKNK1MKNK2ALDH1A1APP

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
EP-2593447-B1 3-PYRIDYL-HETEROARYLCARBOXAMIDE COMPOUNDS AS PESTICIDES BAYER IP GMBH (DE) 2016-08-17 EP disclosed
EP-2593447-B1 3-PYRIDYL-HETEROARYLCARBOXAMIDE COMPOUNDS AS PESTICIDES BAYER IP GMBH (DE) 2016-08-17 EP disclosed
US-9233951-B2 Heterocyclic compounds as pesticides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-01-12 US disclosed
US-9233951-B2 Heterocyclic compounds as pesticides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-01-12 US disclosed
US-9233951-B2 Heterocyclic compounds as pesticides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-01-12 US disclosed
EP-2593447-A2 NEW HETEROCYCLIC COMPOUNDS AS PESTICIDES Bayer Intellectual Property GmbH (DE) 2013-05-22 EP disclosed
US-20120094837-A1 Novel Heterocyclic Compounds as Pesticides BAYER CROP SCIENCE AG (DE) 2012-04-19 US disclosed
US-20120094837-A1 Novel Heterocyclic Compounds as Pesticides BAYER CROP SCIENCE AG (DE) 2012-04-19 US disclosed
US-20120094837-A1 Novel Heterocyclic Compounds as Pesticides BAYER CROP SCIENCE AG (DE) 2012-04-19 US disclosed
WO-2012007500-A2 NEW HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2012-01-19 WO disclosed
WO-2012007500-A2 NEW HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2012-01-19 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 (1 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-20120094837-A1 Novel Heterocyclic Compounds as Pesticides DDT, PTMS, ACHE KMO 459/4885MKNK1 1492/4885MKNK2 1484/4885

“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.