SCHEMBL2528081

SCHEMBL2528081

O=C(Nc1cccc(O)c1)c1ccccn1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 7/20 0.72
HDAC6 Q9UBN7 1/20 0.72
KDR P35968 7/20 0.70
KCNK3 O14649 1/20 0.70
KCNK9 Q9NPC2 1/20 0.70
NPC1 O15118 3/20 0.65
RAB9A P51151 3/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
STAT3 P40763 1/20 0.64
STAT1 P42224 1/20 0.64
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
KDM4E B2RXH2 1/20 0.57

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
SCHEMBL7990375 0.90 KDR (0.84) GRM4HDAC6KDRKCNK3KCNK9
SCHEMBL21775993 0.85 POLB (0.68) GRM4HDAC6NPC1RAB9ASMN1; SMN2
SCHEMBL2530324 0.84 GRM4 (1.00) GRM4HDAC6KDRKCNK3KCNK9
SCHEMBL29496401 0.84 GRM4 (1.00) GRM4HDAC6KDRKCNK3KCNK9
SCHEMBL231897 0.83 KDR (0.78) GRM4HDAC6KDRKCNK3KCNK9
SCHEMBL2527967 0.83 GRM4 (0.70) GRM4HDAC6KDRKCNK3KCNK9
SCHEMBL3087891 0.83 GRM4 (0.70) GRM4HDAC6KDRKCNK3KCNK9
SCHEMBL29723905 0.83 KDR (0.72) GRM4HDAC6KDRKCNK3KCNK9
SCHEMBL30643208 0.83 KDR (0.72) GRM4HDAC6KDRKCNK3KCNK9
SCHEMBL28904211 0.83 GRM4 (0.70) GRM4HDAC6KDRKCNK3KCNK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524726-B2 Amido derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors ADDEX PHARMA S.A. (CH) 2013-09-03 US disclosed
US-20130137704-A1 NOVEL AMIDO DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharma, SA (CH) 2013-05-30 US disclosed
US-20130131092-A1 NOVEL AMIDO DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharma, SA (CH) 2013-05-23 US disclosed
US-20110257182-A1 Novel amido derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors BOLEA CHRISTELLE 2011-10-20 US disclosed
US-20100137336-A1 NOVEL AMIDO DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2010-06-03 US disclosed
EP-2181091-A2 AMIDO DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharmaceuticals SA (CH) 2010-05-05 EP disclosed
WO-2009010454-A2 AMIDO DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA S.A. (CH) 2009-01-22 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-20130137704-A1 NOVEL AMIDO DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM4, GRM1, GRM3 GRM4 1/4885HDAC6 2600/4885KDR 4100/4885
US-20100137336-A1 NOVEL AMIDO DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM4, GRM1, GRM3 GRM4 1/4885HDAC6 2600/4885KDR 4100/4885
US-20110257182-A1 Novel amido derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors GRM4, GRM1, GRM3 GRM4 1/4885HDAC6 2600/4885KDR 4100/4885
US-20130131092-A1 NOVEL AMIDO DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM4, GRM1, GRM3 GRM4 1/4885HDAC6 2600/4885KDR 4100/4885

“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.