SCHEMBL3128227

SCHEMBL3128227

O=C(c1ccncc1F)N1CCCC(c2nc(Oc3ccccc3)no2)C1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 9/20 0.51
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ NPC1 O15118 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ POLB P06746 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
SCHEMBL3128214 1.00 HSD11B1 (0.51) HSD11B1MEN1KMT2ANPC1ALDH1A1
SCHEMBL4649008 0.90 HSD11B1 (0.57) HSD11B1MEN1KMT2ANPC1ALDH1A1
SCHEMBL4649006 0.90 HSD11B1 (0.57) HSD11B1MEN1KMT2ANPC1ALDH1A1
SCHEMBL4647105 0.83 HSD11B1 (0.72) HSD11B1MEN1KMT2ANPC1ALDH1A1
SCHEMBL4647096 0.83 HSD11B1 (0.72) HSD11B1MEN1KMT2ANPC1ALDH1A1
SCHEMBL3137282 0.82 GRM5 (0.67) HSD11B1MEN1KMT2ANPC1ALDH1A1
SCHEMBL4620646 0.82 GRM5 (0.67) HSD11B1MEN1KMT2ANPC1ALDH1A1
SCHEMBL3130814 0.82 MEN1 (0.56) HSD11B1MEN1KMT2ANPC1ALDH1A1
SCHEMBL3130824 0.82 MEN1 (0.56) HSD11B1MEN1KMT2ANPC1ALDH1A1
SCHEMBL3140714 0.82 HSD11B1 (0.57) HSD11B1MEN1KMT2ANPC1ALDH1A1

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 3 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 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 HSD11B1 3344/4885MEN1 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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