SCHEMBL2533805

SCHEMBL2533805

COc1cccc(NC(=O)c2nccs2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.62
RAB9A P51151 5/20 0.62
NPC1 O15118 3/20 0.62
GRM4 Q14833 2/20 0.62
KMT2A Q03164 5/20 0.58
RXFP1 Q9HBX9 1/20 0.58
ALDH1A1 P00352 5/20 0.57
PKM P14618 2/20 0.57
TP53 P04637 2/20 0.57
NLRP3 Q96P20 1/20 0.57
MEN1 O00255 3/20 0.56
TSHR P16473 2/20 0.56
THRB P10828 1/20 0.56
KDM1A O60341 1/20 0.56
RCOR1 Q9UKL0 1/20 0.56
HTT P42858 2/20 0.55
MAPT P10636 2/20 0.54
USP2 O75604 1/20 0.54
GAA P10253 1/20 0.54
ALOX15 P16050 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
SCHEMBL2796191 0.85 NPC1 (0.60) SMN1; SMN2RAB9ANPC1GRM4KMT2A
SCHEMBL6660832 0.82 GRM4 (0.60) SMN1; SMN2RAB9ANPC1GRM4KMT2A
SCHEMBL12412142 0.82 GRM5 (0.58) SMN1; SMN2KMT2ATSHR
SCHEMBL6664215 0.80 MEN1 (0.65) SMN1; SMN2RAB9ANPC1GRM4KMT2A
SCHEMBL20188746 0.80 GRM4 (0.52) SMN1; SMN2RAB9ANPC1GRM4KMT2A
SCHEMBL3284316 0.79 SNCA (0.58) SMN1; SMN2RAB9ANPC1GRM4KMT2A
SCHEMBL23070716 0.78 KCNK3 (0.62) RAB9ANPC1GRM4KMT2AALDH1A1
SCHEMBL30300673 0.78 RAB9A (0.65) SMN1; SMN2RAB9ANPC1KMT2ARXFP1
SCHEMBL29684560 0.78 KCNK3 (0.55) GRM4KMT2AMEN1HTTMAPT
SCHEMBL168594 0.78 GRM4 (0.63) SMN1; SMN2RAB9ANPC1GRM4KMT2A

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 SMN1; SMN2 1604/4885RAB9A 1653/4885NPC1 2148/4885
US-20100137336-A1 NOVEL AMIDO DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM4, GRM1, GRM3 SMN1; SMN2 1604/4885RAB9A 1653/4885NPC1 2148/4885
US-20110257182-A1 Novel amido derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors GRM4, GRM1, GRM3 SMN1; SMN2 1604/4885RAB9A 1653/4885NPC1 2148/4885
US-20130131092-A1 NOVEL AMIDO DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM4, GRM1, GRM3 SMN1; SMN2 1604/4885RAB9A 1653/4885NPC1 2148/4885

“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.