SCHEMBL3130701

SCHEMBL3130701

COc1ccc(C(=O)N2CCCC(c3nc(Oc4cccc(F)c4)no3)C2)cc1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.67
▸ MEN1 O00255 1/20 0.67
▸ KMT2A Q03164 1/20 0.67
▸ ALDH1A1 P00352 3/20 0.60
▸ LMNA P02545 3/20 0.60
▸ TSHR P16473 2/20 0.60
▸ HPGD P15428 2/20 0.60
▸ RAB9A P51151 1/20 0.56
▸ GAA P10253 1/20 0.55
▸ GRM5 P41594 2/20 0.55
▸ CLPP Q16740 1/20 0.55
▸ NPC1 O15118 1/20 0.53
▸ POLB P06746 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ HIF1A Q16665 1/20 0.52

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
SCHEMBL3130688 1.00 L3MBTL1 (0.67) L3MBTL1MEN1KMT2AALDH1A1LMNA
SCHEMBL3141341 0.93 L3MBTL1 (0.74) L3MBTL1MEN1KMT2AALDH1A1LMNA
SCHEMBL3141331 0.93 L3MBTL1 (0.74) L3MBTL1MEN1KMT2AALDH1A1LMNA
SCHEMBL3140639 0.93 GRM5 (0.63) L3MBTL1MEN1KMT2ATSHRHPGD
SCHEMBL3146200 0.93 GRM5 (0.63) L3MBTL1MEN1KMT2ATSHRHPGD
SCHEMBL4644196 0.92 RAB9A (0.67) L3MBTL1MEN1KMT2AALDH1A1LMNA
SCHEMBL4644183 0.92 RAB9A (0.67) L3MBTL1MEN1KMT2AALDH1A1LMNA
SCHEMBL3130211 0.91 L3MBTL1 (0.63) L3MBTL1MEN1KMT2AALDH1A1TSHR
SCHEMBL3130199 0.91 L3MBTL1 (0.63) L3MBTL1MEN1KMT2AALDH1A1TSHR
SCHEMBL3145568 0.90 HSD11B1 (0.60) L3MBTL1MEN1KMT2ARAB9AGRM5

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-20100004284-A1 Novel Heterocyclic Compounds as Positive Allosteric Modulators of Metabotropic Glutamate Receptors ADDEX PHARMA SA (CH) 2010-01-07 — — US claimed
US-20100004284-A1 Novel Heterocyclic Compounds as Positive Allosteric Modulators of Metabotropic Glutamate Receptors ADDEX PHARMA SA (CH) 2010-01-07 — — US disclosed
EP-1896464-A1 NOVEL HETEROCYCLIC COMPOUNDS AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharma SA (CH) 2008-03-12 — — EP disclosed
WO-2006129199-A1 NOVEL HETEROCYCLIC COMPOUNDS AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2006-12-07 — — 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-20100004284-A1 Novel Heterocyclic Compounds as Positive Allosteric Modulators of Metabotropic Glutamate Receptors GRM5, GRM1, GRIK5 L3MBTL1 3297/4885MEN1 4669/4885KMT2A 1414/4885

“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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