SCHEMBL396385

SCHEMBL396385

Cc1nc(CCCCc2ccccc2)cs1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.56
NOS1 P29475 2/20 0.51
SLC6A3 Q01959 3/20 0.51
PKM P14618 1/20 0.50
HIF1A Q16665 1/20 0.48
NOS3 P29474 1/20 0.46
NOS2 P35228 1/20 0.46
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
HDAC1 Q13547 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
CYP2D6 P10635 1/20 0.45
TP53 P04637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL2263697 0.80 SLC6A3 (0.53) MAPTNOS1SLC6A3PKMHIF1A
SCHEMBL8007754 0.78 PKM (0.42) MAPTNOS1SLC6A3PKMNOS3
SCHEMBL15004516 0.78 KCNH2 (0.47) MAPTSLC6A3PKMNOS2GAA
SCHEMBL7998569 0.78 PKM (0.41) MAPTSLC6A3PKMGAAHTT
SCHEMBL10031019 0.77 PKM (0.51) MAPTSLC6A3PKMGAAHTT
SCHEMBL8697797 0.77 KCNH2 (0.50) MAPTSLC6A3PKMGAAHTT
SCHEMBL14984312 0.77 KCNH2 (0.50) MAPTSLC6A3PKMGAAHTT
SCHEMBL18750417 0.77 KCNH2 (0.50) MAPTSLC6A3PKMGAAHTT
SCHEMBL2098516 0.77 PKM (0.43) MAPTSLC6A3PKMGAAHTT
SCHEMBL2631523 0.76 PKM (0.45) MAPTSLC6A3PKMNOS2GAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 MAPT 630/4885NOS1 4185/4885SLC6A3 160/4885

“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.