SCHEMBL102679

SCHEMBL102679

C#CCCc1nc(-c2ccc(C)cc2)no1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
ATM Q13315 1/20 0.58
MAPT P10636 2/20 0.53
SMN1; SMN2 Q16637 7/20 0.52
NPSR1 Q6W5P4 1/20 0.52
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
CASP3 P42574 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
LMNA P02545 3/20 0.51
HDAC2 Q92769 2/20 0.51
HDAC8 Q9BY41 2/20 0.51
HDAC1 Q13547 1/20 0.51
HPGD P15428 1/20 0.51
TSHR P16473 4/20 0.49
MAPK1 P28482 2/20 0.49
HTT P42858 1/20 0.49

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
SCHEMBL102014 0.85 SIRT2 (0.62) TDP1L3MBTL1MAPTSMN1; SMN2NPC1
SCHEMBL101993 0.84 SIRT2 (0.65) TDP1L3MBTL1ATMMAPTSMN1; SMN2
SCHEMBL102445 0.83 RAB9A (0.66) TDP1L3MBTL1MAPTSMN1; SMN2NPC1
SCHEMBL16975850 0.81 SMN1; SMN2 (0.71) TDP1L3MBTL1ATMMAPTSMN1; SMN2
SCHEMBL103622 0.80 MAPT (0.44) TDP1L3MBTL1ATMMAPTSMN1; SMN2
SCHEMBL19835591 0.80 TDP1 (0.62) TDP1L3MBTL1ATMMAPTSMN1; SMN2
SCHEMBL11920075 0.80 TDP1 (0.62) TDP1L3MBTL1ATMMAPTSMN1; SMN2
SCHEMBL11637969 0.80 TDP1 (0.62) TDP1L3MBTL1ATMMAPTSMN1; SMN2
SCHEMBL14679168 0.80 TDP1 (0.62) TDP1L3MBTL1ATMMAPTSMN1; SMN2
SCHEMBL102950 0.79 NPC1 (0.41) TDP1L3MBTL1ATMMAPTSMN1; SMN2

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 TDP1 2938/4885L3MBTL1 3907/4885ATM 3956/4885
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 TDP1 3469/4885L3MBTL1 4070/4885ATM 3987/4885
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 TDP1 2938/4885L3MBTL1 3907/4885ATM 3956/4885

“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.