Sugi Predict

Sugi Predict / Compounds / SCHEMBL4130488

SCHEMBL4130488

SCHEMBL4130488

O=C(c1c(F)cc(F)cc1F)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.85
▸ MEN1 O00255 2/20 0.80
▸ KMT2A Q03164 2/20 0.80
▸ GRM5 P41594 1/20 0.79
▸ CLPP Q16740 1/20 0.79
▸ ALDH1A1 P00352 3/20 0.72
▸ TSHR P16473 3/20 0.72
▸ LMNA P02545 2/20 0.72
▸ HTT P42858 2/20 0.72
▸ SMN1; SMN2 Q16637 2/20 0.72
▸ NPSR1 Q6W5P4 2/20 0.72
▸ MAPK1 P28482 2/20 0.72
▸ TP53 P04637 1/20 0.72
▸ ALOX15 P16050 1/20 0.72
▸ PKM P14618 1/20 0.68
▸ HSD11B1 P28845 2/20 0.65
▸ RAB9A P51151 1/20 0.65
▸ CYP1A2 P05177 1/20 0.64
▸ CYP3A4 P08684 1/20 0.64
▸ CYP2C9 P11712 1/20 0.64

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
SCHEMBL4130492 1.00 POLB (0.85) POLBMEN1KMT2AGRM5CLPP
SCHEMBL194167 0.89 MEN1 (1.00) POLBMEN1KMT2AGRM5CLPP
SCHEMBL194168 0.89 MEN1 (1.00) POLBMEN1KMT2AGRM5CLPP
SCHEMBL192098 0.88 GRM5 (1.00) POLBMEN1KMT2AGRM5CLPP
SCHEMBL193680 0.88 GRM5 (1.00) POLBMEN1KMT2AGRM5CLPP
SCHEMBL192099 0.88 GRM5 (1.00) POLBMEN1KMT2AGRM5CLPP
SCHEMBL192922 0.88 GRM5 (0.82) POLBMEN1KMT2AGRM5CLPP
SCHEMBL192923 0.88 GRM5 (0.82) POLBMEN1KMT2AGRM5CLPP
SCHEMBL192774 0.87 GRM5 (0.84) POLBMEN1KMT2AGRM5CLPP
SCHEMBL192775 0.87 GRM5 (0.84) POLBMEN1KMT2AGRM5CLPP

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 6 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
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 POLB 3205/4885MEN1 4470/4885KMT2A 2454/4885

“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.