SCHEMBL4144181

SCHEMBL4144181

COc1ccsc1C(=O)N1CCCC(c2nc(-c3ccc(F)cc3)no2)C1

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.73
KMT2A Q03164 3/20 0.73
GRM5 P41594 1/20 0.68
CLPP Q16740 1/20 0.68
TSHR P16473 3/20 0.68
PKM P14618 1/20 0.68
LMNA P02545 2/20 0.65
POLB P06746 2/20 0.64
MAPK1 P28482 1/20 0.64
L3MBTL1 Q9Y468 2/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
HTT P42858 1/20 0.61
HSD11B1 P28845 1/20 0.60
USP2 O75604 1/20 0.59
ATM Q13315 1/20 0.59
HPGD P15428 1/20 0.59

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
SCHEMBL4144173 1.00 MEN1 (0.73) MEN1KMT2AGRM5CLPPTSHR
SCHEMBL194463 0.88 GRM5 (0.72) MEN1KMT2AGRM5CLPPTSHR
SCHEMBL194464 0.88 GRM5 (0.72) MEN1KMT2AGRM5CLPPTSHR
SCHEMBL4147662 0.83 MEN1 (0.77) MEN1KMT2AGRM5CLPPTSHR
SCHEMBL4147656 0.83 MEN1 (0.77) MEN1KMT2AGRM5CLPPTSHR
SCHEMBL4136807 0.83 GRM5 (0.72) MEN1KMT2AGRM5CLPPTSHR
SCHEMBL4136804 0.83 GRM5 (0.72) MEN1KMT2AGRM5CLPPTSHR
SCHEMBL192380 0.82 GRM5 (0.71) MEN1KMT2AGRM5CLPPTSHR
SCHEMBL192381 0.82 GRM5 (0.71) MEN1KMT2AGRM5CLPPTSHR
SCHEMBL193360 0.82 GRM5 (0.73) MEN1KMT2AGRM5CLPPTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090197897-A1 Novel Oxadiazole Derivatives and Their Use as Positive Allosteric Modulators of Metabotropic Glutamate Receptors ADDEX PHARMA SA (CH) 2009-08-06 US claimed
US-20090197897-A1 Novel Oxadiazole Derivatives and Their Use as Positive Allosteric Modulators of Metabotropic Glutamate Receptors ADDEX PHARMA SA (CH) 2009-08-06 US disclosed
EP-1896463-A2 NOVEL OXADIAZOLE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX Pharma S.A. (CH) 2008-03-12 EP disclosed
WO-2006123249-A2 NOVEL OXADIAZOLE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2006-11-23 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 (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-20090197897-A1 Novel Oxadiazole Derivatives and Their Use as Positive Allosteric Modulators of Metabotropic Glutamate Receptors GRM5, GRM2, GRM3 MEN1 4470/4885KMT2A 2454/4885GRM5 1/4885

“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.