SCHEMBL2533808

SCHEMBL2533808

COc1cccc(NC(=O)c2csc(C)n2)c1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.65
GRM4 Q14833 1/20 0.64
IRAK4 Q9NWZ3 1/20 0.64
POLB P06746 1/20 0.61
SMN1; SMN2 Q16637 6/20 0.60
KMT2A Q03164 5/20 0.58
MEN1 O00255 3/20 0.58
NPC1 O15118 6/20 0.57
RAB9A P51151 6/20 0.57
TP53 P04637 2/20 0.57
RXFP1 Q9HBX9 1/20 0.57
ALDH1A1 P00352 2/20 0.56
MAPT P10636 2/20 0.56
LMNA P02545 1/20 0.56
HPGD P15428 1/20 0.56
HIF1A Q16665 1/20 0.56
STAT1 P42224 1/20 0.56
NLRP3 Q96P20 1/20 0.56
PKM P14618 1/20 0.56

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
SCHEMBL12412153 0.83 IRAK4 (0.62) IRAK4SMN1; SMN2
SCHEMBL4141170 0.82 NPC1 (0.67) IRAK4POLBSMN1; SMN2KMT2AMEN1
SCHEMBL14014056 0.81 TDP1 (0.66) IRAK4POLBSMN1; SMN2KMT2AMEN1
SCHEMBL2527996 0.79 GRM4 (1.00) THRBGRM4SMN1; SMN2KMT2AMEN1
SCHEMBL16404142 0.78 HTT (0.56) THRBPOLBSMN1; SMN2KMT2AMEN1
SCHEMBL2531671 0.76 SMN1; SMN2 (0.74) THRBGRM4POLBSMN1; SMN2KMT2A
SCHEMBL15096727 0.76 POLB (1.00) THRBGRM4POLBSMN1; SMN2KMT2A
SCHEMBL4141614 0.75 PIM1 (0.62) IRAK4SMN1; SMN2NPC1RAB9ATP53
SCHEMBL30300673 0.75 RAB9A (0.65) THRBPOLBSMN1; SMN2KMT2AMEN1
SCHEMBL29510813 0.74 SMN1; SMN2 (0.66) THRBGRM4POLBSMN1; SMN2KMT2A

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
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
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 THRB 700/4885GRM4 1/4885IRAK4 382/4885
US-20100137336-A1 NOVEL AMIDO DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM4, GRM1, GRM3 THRB 700/4885GRM4 1/4885IRAK4 382/4885
US-20110257182-A1 Novel amido derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors GRM4, GRM1, GRM3 THRB 700/4885GRM4 1/4885IRAK4 382/4885
US-20130131092-A1 NOVEL AMIDO DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM4, GRM1, GRM3 THRB 700/4885GRM4 1/4885IRAK4 382/4885

“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.