SCHEMBL103798

SCHEMBL103798

C#CCCc1nc2ccccc2s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UBE2T Q9NPD8 1/20 0.56
ASIC3 Q9UHC3 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.53
HTT P42858 2/20 0.53
ALOX15 P16050 1/20 0.53
PDE10A Q9Y233 1/20 0.53
RAB9A P51151 4/20 0.51
HPGD P15428 3/20 0.51
NPC1 O15118 3/20 0.49
MAPK1 P28482 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
HTR1A P08908 1/20 0.48
DRD2 P14416 1/20 0.48
SLC6A4 P31645 1/20 0.48
HTR7 P34969 1/20 0.48
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
HIF1A Q16665 1/20 0.47

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
SCHEMBL19372016 0.83 UBE2T (0.70) UBE2TASIC3SMN1; SMN2HTTALOX15
SCHEMBL3920772 0.83 UBE2T (0.56) UBE2TASIC3SMN1; SMN2HTTALOX15
SCHEMBL7760455 0.82 UBE2T (0.59) UBE2TASIC3SMN1; SMN2HTTALOX15
SCHEMBL27284190 0.80 UBE2T (0.61) UBE2TASIC3SMN1; SMN2HTTALOX15
SCHEMBL9641726 0.80 SMN1; SMN2 (0.70) UBE2TASIC3SMN1; SMN2HTTALOX15
SCHEMBL27509034 0.78 SMN1; SMN2 (0.68) UBE2TASIC3SMN1; SMN2HTTALOX15
SCHEMBL102531 0.78 DYRK1A (0.40) SMN1; SMN2HTTRAB9AHPGDNPC1
SCHEMBL14834856 0.77 SMN1; SMN2 (0.62) UBE2TASIC3SMN1; SMN2HTTALOX15
SCHEMBL3529770 0.77 UBE2T (0.72) UBE2TASIC3SMN1; SMN2HTTALOX15
SCHEMBL6240191 0.77 UBE2T (0.61) UBE2TASIC3SMN1; SMN2HTTALOX15

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-8883826-B2 Alkynyl derivatives as modulators of metabotropic glutamate receptors ADDEX PHARMA SA (CH) 2014-11-11 US disclosed
US-8674106-B2 Alkynyl derivatives as modulators of metabotropic glutamate receptors ADDEX PHARMA SA (CH) 2014-03-18 US disclosed
US-20130178631-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2013-07-11 US disclosed
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2012-11-01 US disclosed
EP-2426115-A2 Alkynyl derivatives as modulators of metabotropic glutamate receptors Addex Pharma SA (CH) 2012-03-07 EP disclosed
US-8101637-B2 Alkynyl derivatives as modulators of metatropic glutamate receptors ADDEX PHARMA SA (CH) 2012-01-24 US disclosed
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2009-05-14 US disclosed
EP-1765795-A2 ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharmaceuticals SA (CH) 2007-03-28 EP disclosed
WO-2005123703-A2 ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2005-12-29 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-20130178631-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 UBE2T 3494/4885ASIC3 352/4885SMN1; SMN2 881/4885
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 UBE2T 3293/4885ASIC3 451/4885SMN1; SMN2 1094/4885
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 UBE2T 3494/4885ASIC3 352/4885SMN1; SMN2 881/4885

“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.