SCHEMBL4138211

SCHEMBL4138211

Cc1cc(F)ccc1C(=O)N1CCC[C@H](c2nc(-c3ccc(F)cc3F)no2)C1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.71
LMNA P02545 2/20 0.71
TSHR P16473 2/20 0.71
HTT P42858 2/20 0.71
SMN1; SMN2 Q16637 2/20 0.71
MEN1 O00255 2/20 0.70
KMT2A Q03164 2/20 0.70
NPSR1 Q6W5P4 2/20 0.66
GRM5 P41594 1/20 0.61
CLPP Q16740 1/20 0.61
HSD11B1 P28845 4/20 0.59
RAB9A P51151 1/20 0.57
POLB P06746 1/20 0.56
TP53 P04637 1/20 0.54
ALOX15 P16050 1/20 0.54
MAPK1 P28482 1/20 0.54
ATM Q13315 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
CNR2 P34972 1/20 0.54

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
SCHEMBL4138219 1.00 ALDH1A1 (0.71) ALDH1A1LMNATSHRHTTSMN1; SMN2
SCHEMBL4136224 0.94 ALDH1A1 (0.68) ALDH1A1LMNATSHRHTTSMN1; SMN2
SCHEMBL4136233 0.94 ALDH1A1 (0.68) ALDH1A1LMNATSHRHTTSMN1; SMN2
SCHEMBL4130414 0.92 MEN1 (0.82) ALDH1A1LMNATSHRHTTSMN1; SMN2
SCHEMBL4130411 0.92 MEN1 (0.82) ALDH1A1LMNATSHRHTTSMN1; SMN2
SCHEMBL193262 0.89 GRM5 (0.76) ALDH1A1LMNATSHRHTTSMN1; SMN2
SCHEMBL193261 0.89 GRM5 (0.76) ALDH1A1LMNATSHRHTTSMN1; SMN2
SCHEMBL4151222 0.89 MEN1 (0.82) ALDH1A1LMNATSHRHTTSMN1; SMN2
SCHEMBL4151228 0.89 MEN1 (0.82) ALDH1A1LMNATSHRHTTSMN1; SMN2
SCHEMBL4130445 0.88 ALDH1A1 (0.66) ALDH1A1LMNATSHRHTTSMN1; 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-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
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 claimed
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 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
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
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
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 ALDH1A1 4047/4885LMNA 4756/4885TSHR 560/4885

“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.