SCHEMBL103829

SCHEMBL103829

C#CCCc1nc2c(C)cccc2s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
GAA P10253 2/20 0.40
MAPT P10636 7/20 0.40
PKM P14618 1/20 0.38
ALOX15 P16050 2/20 0.38
LMNA P02545 2/20 0.38
MAPK1 P28482 2/20 0.38
MEN1 O00255 6/20 0.36
KMT2A Q03164 6/20 0.36
HPGD P15428 2/20 0.35
POLB P06746 2/20 0.35
KDM4E B2RXH2 2/20 0.35
USP2 O75604 1/20 0.35
MCL1 Q07820 1/20 0.35
ESR2 Q92731 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL102627 0.83 LMNA (0.50) ALDH1A1GAAMAPTPKMLMNA
SCHEMBL102576 0.82 SMN1; SMN2 (0.49) ALDH1A1GAAMAPTPKMLMNA
SCHEMBL102701 0.78 AHR (0.39) MAPTLMNAMEN1KMT2AHPGD
SCHEMBL805050 0.77 ALDH1A1 (0.58) ALDH1A1GAAMAPTPKMALOX15
SCHEMBL101842 0.76 GRM5 (0.43) ALDH1A1GAAPKMLMNAMEN1
SCHEMBL5973543 0.76 ALDH1A1 (0.61) ALDH1A1GAAMAPTPKMALOX15
SCHEMBL28272959 0.76 ALDH1A1 (0.56) ALDH1A1GAAMAPTPKMALOX15
SCHEMBL14127136 0.76 ALDH1A1 (0.56) ALDH1A1GAAMAPTPKMALOX15
SCHEMBL11516404 0.75 ALDH1A1 (0.51) ALDH1A1GAAMAPTPKMALOX15
SCHEMBL103798 0.74 UBE2T (0.56) ALDH1A1GAAMAPTALOX15LMNA

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 7 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

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 ALDH1A1 2153/4885GAA 2330/4885MAPT 1113/4885
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 ALDH1A1 2496/4885GAA 2249/4885MAPT 630/4885
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 ALDH1A1 2153/4885GAA 2330/4885MAPT 1113/4885

“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.