SCHEMBL171916

SCHEMBL171916

COc1cccc(COc2ccc(C)cc2)c1

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.73
IDO1 P14902 2/20 0.59
AGXT P21549 2/20 0.59
ACHE P22303 1/20 0.56
FFAR1 O14842 1/20 0.56
RAB9A P51151 3/20 0.55
TP53 P04637 1/20 0.55
PKM P14618 1/20 0.55
NFKB1 P19838 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
MRGPRX4 Q96LA9 1/20 0.55
RXFP1 Q9HBX9 1/20 0.55
NPC1 O15118 2/20 0.55
BCHE P06276 1/20 0.55
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54

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
SCHEMBL14547318 0.91 MAOB (0.81) MAOBIDO1AGXTRAB9ATP53
SCHEMBL12641076 0.91 FFAR1 (0.64) MAOBFFAR1RAB9ATP53PKM
SCHEMBL13192108 0.89 MAOB (0.72) MAOBIDO1AGXTACHEFFAR1
SCHEMBL13263642 0.87 MAOB (0.79) MAOBIDO1AGXTRAB9ATP53
SCHEMBL1548623 0.87 MAOB (0.58) MAOBFFAR1
SCHEMBL13144444 0.86 MAOB (0.87) MAOBIDO1AGXTACHEMRGPRX4
SCHEMBL18216647 0.86 FFAR1 (0.58) MAOBFFAR1RAB9ASMN1; SMN2
SCHEMBL21260547 0.85 MAOB (0.73) MAOBIDO1AGXTRAB9ATP53
SCHEMBL1680537 0.85 MAOB (1.00) MAOBIDO1AGXTBCHE
SCHEMBL14854755 0.85 MAOB (0.77) MAOBIDO1AGXTFFAR1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3760633-B1 OXAZINO-QUINAZOLINE AND OXAZINO-QUINAZOLINE TYPE COMPOUND, PREPARATION METHOD THEREFOR, AND USES THEREOF BEIJING SCITECH MQ PHARMACEUTICALS LTD (CN) 2021-12-15 EP disclosed
US-10916716-B2 Metal complexes comprising diazabenzmidazolocarbene ligands and the use thereof in OLEDS UDC IRELAND LIMITED (IE) 2021-02-09 US disclosed
US-9266834-B2 1, 4-disubstituted 3-cyano-pyridone derivatives and their use as positive allosteric modulators of MGLUR2-receptors Janssen Pharmaceuticals, Inc. (US) 2016-02-23 US disclosed
US-20140315903-A1 1, 4-Disubstituted 3-Cyano-Pyridone Derivatives and Their Use As Positive Allosteric Modulators of MGLUR2-Receptors JANSSEN PHARMACEUTICALS INC (US) 2014-10-23 US disclosed
US-8841323-B2 1, 4-disubstituted 3-cyano-pyridone derivatives and their use as positive allosteric modulators of MGLUR2-receptors Janssen Pharmaceuticals, Inc. (US) 2014-09-23 US disclosed
US-8841323-B2 1, 4-disubstituted 3-cyano-pyridone derivatives and their use as positive allosteric modulators of MGLUR2-receptors Janssen Pharmaceuticals, Inc. (US) 2014-09-23 US disclosed
EP-1994004-B9 1,4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS JANSSEN PHARMACEUTICALS INC (US) 2013-04-17 EP disclosed
EP-2426125-A1 1,4 disubstituted 3 cyano pyridone derivatives and their use as positive allosteric modulators of mGluR2 receptors Ortho-McNeil-Janssen Pharmaceuticals, Inc. (US) 2012-03-07 EP disclosed
US-20100166655-A1 1, 4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS JANSSEN PHARMACEUTICA N.V. (BE) 2010-07-01 US disclosed
US-7494537-B2 Thermochromic coloring color-memory composition and thermochromic coloring color-memory microcapsule pigment containing the same THE PILOT INK CO., LTD. (JP) 2009-02-24 US disclosed
US-7494537-B2 Thermochromic coloring color-memory composition and thermochromic coloring color-memory microcapsule pigment containing the same THE PILOT INK CO., LTD. (JP) 2009-02-24 US disclosed
WO-2007104783-A2 1,4 -DI SUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE MGLUR2-RECEPT0R MODULATORS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC. (US) 2007-09-20 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-20140315903-A1 1, 4-Disubstituted 3-Cyano-Pyridone Derivatives and Their Use As Positive Allosteric Modulators of MGLUR2-Receptors GRM2, GRM1, GRM3 MAOB 1409/4885IDO1 1063/4885AGXT 3895/4885
US-20100166655-A1 1, 4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS GRM2, GRM1, GRM3 MAOB 1392/4885IDO1 1055/4885AGXT 3886/4885
US-10916716-B2 Metal complexes comprising diazabenzmidazolocarbene ligands and the use thereof in OLEDS OCIAD1, OCIAD2, DRD2 MAOB 581/4885IDO1 761/4885AGXT 4799/4885

“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.