SCHEMBL2535208

SCHEMBL2535208

COc1cccc(C(=O)COc2cccc(NC(=O)c3ccco3)c2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 11/20 1.00
▸ MEN1 O00255 8/20 1.00
▸ KMT2A Q03164 8/20 1.00
▸ ALDH1A1 P00352 7/20 1.00
▸ HTT P42858 3/20 0.84
▸ GAA P10253 2/20 0.84
▸ SMN1; SMN2 Q16637 7/20 0.80
▸ TSHR P16473 6/20 0.80
▸ NPSR1 Q6W5P4 2/20 0.80
▸ LMNA P02545 3/20 0.76
▸ HPGD P15428 3/20 0.76
▸ MAPK1 P28482 2/20 0.76
▸ NPC1 O15118 3/20 0.74
▸ RAB9A P51151 3/20 0.74
▸ L3MBTL1 Q9Y468 1/20 0.74
▸ TP53 P04637 1/20 0.74
▸ HSD17B10 Q99714 1/20 0.74
▸ POLB P06746 1/20 0.66
▸ USP2 O75604 1/20 0.64
▸ CYP1A2 P05177 1/20 0.64

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
SCHEMBL2534117 0.92 KMT2A (1.00) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL6632076 0.86 NPC1 (1.00) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL2527962 0.86 MAPT (1.00) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL2533817 0.85 MAPT (1.00) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL24711194 0.81 KMT2A (0.71) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL2534421 0.80 GRM4 (0.76) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL7162285 0.79 NPC1 (0.83) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL1336753 0.79 ALDH1A1 (0.75) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL10069472 0.77 KMT2A (0.83) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL2183241 0.75 MAPT (0.76) MAPTMEN1KMT2AALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110257182-A1 Novel amido derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors BOLEA CHRISTELLE 2011-10-20 — — US claimed
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 claimed
EP-2181091-A2 AMIDO DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharmaceuticals SA (CH) 2010-05-05 — — EP claimed
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 claimed
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

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 MAPT 1940/4885MEN1 4039/4885KMT2A 2771/4885
US-20100137336-A1 NOVEL AMIDO DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM4, GRM1, GRM3 MAPT 1940/4885MEN1 4039/4885KMT2A 2771/4885
US-20110257182-A1 Novel amido derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors GRM4, GRM1, GRM3 MAPT 1940/4885MEN1 4039/4885KMT2A 2771/4885
US-20130131092-A1 NOVEL AMIDO DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM4, GRM1, GRM3 MAPT 1940/4885MEN1 4039/4885KMT2A 2771/4885

“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.

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