SCHEMBL3288928

SCHEMBL3288928

COCC(C)(C)OC(=O)c1c(NC(=O)C2COc3ccccc3O2)nc(OC)n1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.46
HTT P42858 4/20 0.46
ALDH1A1 P00352 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
HPGD P15428 2/20 0.46
KDM4E B2RXH2 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
NPC1 O15118 9/20 0.44
RAB9A P51151 7/20 0.44
TSHR P16473 4/20 0.43
MAPT P10636 4/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SMN1; SMN2 Q16637 5/20 0.42
MAPK10 P53779 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL4788680 0.91 MAPT (0.45) L3MBTL1HTTALDH1A1NPSR1HPGD
SCHEMBL3441807 0.89 L3MBTL1 (0.47) L3MBTL1HTTALDH1A1NPSR1HPGD
SCHEMBL4896089 0.85 L3MBTL1 (0.46) L3MBTL1HTTALDH1A1NPSR1HPGD
SCHEMBL4789183 0.81 NPC1 (0.49) L3MBTL1HTTALDH1A1NPSR1HPGD
SCHEMBL3441603 0.78 L3MBTL1 (0.48) L3MBTL1HTTALDH1A1NPSR1HPGD
SCHEMBL3289003 0.73 MAPK1 (0.40) L3MBTL1ALDH1A1HPGDKDM4ETSHR
SCHEMBL3290470 0.73 NTRK1 (0.42) HTTALDH1A1KDM4ENPC1RAB9A
SCHEMBL4787993 0.72 EDNRB (0.40) L3MBTL1ALDH1A1HPGDKDM4ENPC1
SCHEMBL3287173 0.71 L3MBTL1 (0.43) L3MBTL1HTTALDH1A1NPSR1KDM4E
SCHEMBL3573057 0.70 L3MBTL1 (0.41) L3MBTL1HTTALDH1A1NPSR1HPGD

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7718686-B2 Imidazole variants as modulators of GABA receptor for the treatment of GI disorders ASTRAZENECA AB (SE) 2010-05-18 US claimed
US-20080269216-A1 Imidazole Variants as Modulators of Gaba Receptor For the Treatment of Gi Disorders ASTRAZENECA AB (SE) 2008-10-30 US claimed
US-7718686-B2 Imidazole variants as modulators of GABA receptor for the treatment of GI disorders ASTRAZENECA AB (SE) 2010-05-18 US disclosed
US-7718686-B2 Imidazole variants as modulators of GABA receptor for the treatment of GI disorders ASTRAZENECA AB (SE) 2010-05-18 US disclosed
US-7718686-B2 Imidazole variants as modulators of GABA receptor for the treatment of GI disorders ASTRAZENECA AB (SE) 2010-05-18 US disclosed
US-20080269216-A1 Imidazole Variants as Modulators of Gaba Receptor For the Treatment of Gi Disorders ASTRAZENECA AB (SE) 2008-10-30 US disclosed
US-20080269216-A1 Imidazole Variants as Modulators of Gaba Receptor For the Treatment of Gi Disorders ASTRAZENECA AB (SE) 2008-10-30 US disclosed
US-20080269216-A1 Imidazole Variants as Modulators of Gaba Receptor For the Treatment of Gi Disorders ASTRAZENECA AB (SE) 2008-10-30 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-20080269216-A1 Imidazole Variants as Modulators of Gaba Receptor For the Treatment of Gi Disorders GABRB1, GABBR2, GABBR1 L3MBTL1 4302/4885HTT 4429/4885ALDH1A1 1225/4885

“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.