SCHEMBL1968856

SCHEMBL1968856

c1c[nH]c(-c2nn[nH]n2)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ HCAR2 Q8TDS4 1/20 0.50
▸ ADH5 P11766 1/20 0.48
▸ IDO1 P14902 2/20 0.44
▸ PBRM1 Q86U86 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ LDHA P00338 1/20 0.44
▸ CYP2A6 P11509 1/20 0.43
▸ GP6 Q9HCN6 1/20 0.43
▸ RPA1 P27694 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ HPGDS O60760 1/20 0.42
▸ TP53 P04637 1/20 0.39

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
SCHEMBL17694181 0.77 KDM4C (0.40) —
SCHEMBL442421 0.69 KDM4C (0.46) KDM4ECYP2A6
SCHEMBL15322100 0.68 HSF1 (0.35) PBRM1
SCHEMBL630634 0.68 HDAC6 (0.41) GAAKDM4E
SCHEMBL9985471 0.68 ALDH1A1 (0.62) ALDH1A1MEN1KMT2AL3MBTL1HCAR2
SCHEMBL9984638 0.67 ADH5 (0.95) ALDH1A1MEN1KMT2AL3MBTL1ADH5
SCHEMBL5017 0.67 HPGDS (0.78) ALDH1A1MEN1KMT2AL3MBTL1ADH5
SCHEMBL11162689 0.67 KDM4C (0.38) —
Hydrochloric Acid SCHEMBL7988951 0.66 HDAC6 (0.40) GAAKDM4E
Ammonia Solution, Strong SCHEMBL22206276 0.66 ALDH1A1 (0.59) ALDH1A1MEN1KMT2AL3MBTL1HCAR2

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
CN-101218234-B Phenyl-3-{(3-(1H-pyrrol-2-yl)-[1,2,4]oxadiazol-5-yl]piperidin-1-yl}-methanone derivatives and related compounds as positive allosteric modulators of metabotropic glutamate receptors ADDEX PHARMA S.A. (CH) 2011-12-14 — — CN disclosed
EP-1912979-B1 PHENYL-{3-(3-(1H-PYRROL-2-YL)-[1,2,4]OXADIAZOL-5-YL]PIPERIDIN-1-YL}-METHANONE DERIVATIVES AND RELATED COMPOUNDS AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2011-06-22 — — EP disclosed
US-20090203737-A1 Pyrrole Derivatives as Positive Allosteric Modulators of Metabotropic Receptors ADDEX PHARMA SA (CH) 2009-08-13 — — US disclosed
CN-101218234-A Phenyl-3-{(3-(1H-pyrrol-2-yl)-[1,2,4]oxadiazol-5-yl]piperidin-1-yl}-methanone derivatives and related compounds as positive allosteric modulators of metabotropic glutamate receptors ADDEX PHARMACEUTICALS SA (CH) 2008-07-09 — — CN disclosed
EP-1912979-A2 PHENYL-3-{(3-(1H-PYRROL-2-YL)-[1,2,4]OXADIAZOL-5-YL]PIPERIDIN-1-YL}-METHANONE DERIVATIVES AND RELATED COMPOUNDS AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX Pharma S.A. (CH) 2008-04-23 — — EP disclosed
WO-2006123257-A2 PHENYL-3-{(3-(1H-PYRROL-2-YL)-[1, 2 , 4]0XADIAZ0L-5-YL]PIPERIDIN-1-YL}-METHANONE DERIVATIVES AND RELATED COMPOUNDS 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-20090203737-A1 Pyrrole Derivatives as Positive Allosteric Modulators of Metabotropic Receptors GRM5, GRIK5, GRM2 ALDH1A1 4261/4885MEN1 4289/4885KMT2A 2493/4885

“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.

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