SCHEMBL3137836

SCHEMBL3137836

Cc1oncc1C(=O)N1CCCC(c2nc(Oc3cccc(F)c3)no2)C1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ RAB9A P51151 1/20 0.53
▸ GRM5 P41594 2/20 0.51
▸ ALDH1A1 P00352 3/20 0.50
▸ LMNA P02545 2/20 0.50
▸ TSHR P16473 2/20 0.50
▸ HTT P42858 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ HSD11B1 P28845 4/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ NPC1 O15118 1/20 0.48
▸ NPSR1 Q6W5P4 2/20 0.46
▸ TP53 P04637 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ MAPK1 P28482 1/20 0.46

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
SCHEMBL3137821 1.00 L3MBTL1 (0.54) L3MBTL1RAB9AGRM5ALDH1A1LMNA
SCHEMBL3140708 0.90 HSD11B1 (0.57) L3MBTL1RAB9AALDH1A1TSHRHTT
SCHEMBL3140714 0.90 HSD11B1 (0.57) L3MBTL1RAB9AALDH1A1TSHRHTT
SCHEMBL3142320 0.88 HSD11B1 (0.61) L3MBTL1RAB9AALDH1A1LMNATSHR
SCHEMBL3142302 0.88 HSD11B1 (0.61) L3MBTL1RAB9AALDH1A1LMNATSHR
SCHEMBL3130814 0.86 MEN1 (0.56) L3MBTL1RAB9AGRM5ALDH1A1LMNA
SCHEMBL3130824 0.86 MEN1 (0.56) L3MBTL1RAB9AGRM5ALDH1A1LMNA
SCHEMBL3129959 0.86 L3MBTL1 (0.55) L3MBTL1RAB9AGRM5ALDH1A1LMNA
SCHEMBL3129975 0.86 L3MBTL1 (0.55) L3MBTL1RAB9AGRM5ALDH1A1LMNA
SCHEMBL4644196 0.85 RAB9A (0.67) L3MBTL1RAB9AGRM5ALDH1A1LMNA

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
EP-1896464-A1 NOVEL HETEROCYCLIC COMPOUNDS AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharma SA (CH) 2008-03-12 — — EP claimed
WO-2006129199-A1 NOVEL HETEROCYCLIC COMPOUNDS AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2006-12-07 — — WO claimed
US-20100004284-A1 Novel Heterocyclic Compounds as Positive Allosteric Modulators of Metabotropic Glutamate Receptors ADDEX PHARMA SA (CH) 2010-01-07 — — US 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 3297/4885RAB9A 1083/4885GRM5 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.

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