SCHEMBL1556910

SCHEMBL1556910

NOCc1cccc(N)n1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.43
APP P05067 1/20 0.43
NOS2 P35228 2/20 0.41
NOS3 P29474 1/20 0.41
KCNH2 Q12809 1/20 0.41
NOS1 P29475 1/20 0.39
IDO1 P14902 7/20 0.38
ASIC3 Q9UHC3 1/20 0.38
AGXT P21549 5/20 0.37
MPO P05164 1/20 0.36
CYP3A4 P08684 1/20 0.35
CPB2 Q96IY4 1/20 0.35
KCNH3 Q9ULD8 1/20 0.35

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
SCHEMBL4344143 0.88 ASIC3 (0.46) BACE1APPNOS2NOS3KCNH2
SCHEMBL3928236 0.81 BACE1 (0.45) BACE1APPNOS2NOS3KCNH2
SCHEMBL3534071 0.77 NOS2 (0.38) BACE1APPNOS2NOS3KCNH2
SCHEMBL13141049 0.77 IDO1 (0.42) KCNH2IDO1AGXTCYP3A4
SCHEMBL22838148 0.77 IDO1 (0.41) KCNH2IDO1AGXTCYP3A4
SCHEMBL6822761 0.77 NOS3 (0.45) NOS2NOS3KCNH2IDO1AGXT
SCHEMBL15856232 0.77 KCNH2 (0.44) KCNH2IDO1AGXTMPOCYP3A4
SCHEMBL4381803 0.77 IDO1 (0.42) KCNH2IDO1AGXTCYP3A4
SCHEMBL25380997 0.76 KCNH2 (0.75) BACE1APPNOS2NOS3KCNH2
SCHEMBL14075060 0.76 BACE1 (0.39) BACE1APPNOS2NOS3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2755949-B1 FUNGICIDAL 4-SUBSTITUTED-3-{PHENYL[(HETEROCYCLYLMETHOXY)IMINO]METHYL}-1,2,4-OXADIZOL-5(4H)-ONE DERIVATIVES BAYER IP GMBH (DE) 2015-10-21 EP disclosed
US-9090600-B2 Fungicidal 4-substituted-3-{phenyl[(heterocyclylmethoxy)imino]methyl}-1,2,4-oxadizol-5(4H)-one derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-07-28 US disclosed
US-9000012-B2 Fungicide hydroximoyl-heterocycles derivatives BAYER CROPSCIENCE AG (DE) 2015-04-07 US disclosed
US-20140349848-A1 FUNGICIDAL 4-SUBSTITUTED-3--1,2,4-OXADIZOL-5(4H)-ONE DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-11-27 US disclosed
EP-2755949-A1 FUNGICIDAL 4-SUBSTITUTED-3-{PHENYL[(HETEROCYCLYLMETHOXY)IMINO]METHYL}-1,2,4-OXADIZOL-5(4H)-ONE DERIVATIVES Bayer Intellectual Property GmbH (DE) 2014-07-23 EP disclosed
US-8614217-B2 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2013-12-24 US disclosed
WO-2013037717-A1 FUNGICIDAL 4-SUBSTITUTED-3-{PHENYL[(HETEROCYCLYLMETHOXY)IMINO]METHYL}-1,2,4-OXADIZOL-5(4H)-ONE DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-03-21 WO disclosed
US-20130040993-A1 FUNGICIDE HYDROXIMOYL-HETEROCYCLES DERIVATIVES BAYER CROPSCIENCE AG (DE) 2013-02-14 US disclosed
EP-2519502-A2 FUNGICIDAL HYDROXIMOYL-HETEROCYCLES DERIVATIVES Bayer CropScience AG (DE) 2012-11-07 EP disclosed
US-20110201613-A1 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2011-08-18 US disclosed
WO-2011080254-A2 FUNGICIDE HYDROXIMOYL-HETEROCYCLES DERIVATIVES BAYER CROPSCIENCE AG (DE) 2011-07-07 WO disclosed
EP-2303864-A1 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES Bayer CropScience AG (DE) 2011-04-06 EP disclosed
WO-2010000841-A1 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES BAYER CROPSCIENCE SA (FR) 2010-01-07 WO disclosed
US-7419962-B2 3,6-bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2008-09-02 US disclosed
EP-1830858-A2 3, 6-BICYCLOLIDES Enanta Pharmaceuticals, Inc. (US) 2007-09-12 EP disclosed
US-20060142214-A1 3,6-bicyclolides ENANTA PHARMACEUTICALS, INC. 2006-06-29 US disclosed
WO-2006063039-A2 3, 6-BICYCLOLIDES ENANTA PHARMACEUTICALS, INC. (US) 2006-06-15 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 (4 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-20140349848-A1 FUNGICIDAL 4-SUBSTITUTED-3--1,2,4-OXADIZOL-5(4H)-ONE DERIVATIVES CYP4X1, CYP4B1, CYP4Z1 BACE1 2085/4885APP 4332/4885NOS2 1467/4885
US-20130040993-A1 FUNGICIDE HYDROXIMOYL-HETEROCYCLES DERIVATIVES HAAO, HPD, CYP51A1 BACE1 2660/4885APP 4325/4885NOS2 1676/4885
US-20110201613-A1 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES HPD, HAAO, CYP8B1 BACE1 3889/4885APP 4645/4885NOS2 2501/4885
US-20060142214-A1 3,6-bicyclolides ABCB11, CYP2B6, CYP3A7 BACE1 1181/4885APP 2536/4885NOS2 1614/4885

“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.