SCHEMBL3290393

SCHEMBL3290393

COCC(C)(C)OC(=O)c1c(NC(=O)c2ccc(Cl)cc2)nc(OC)n1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
ADORA1 P30542 1/20 0.40
MAPK8 P45983 7/20 0.39
TP53 P04637 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TMIGD3 P0DMS9 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.37
KDR P35968 1/20 0.37

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
SCHEMBL3290470 0.88 NTRK1 (0.42) LMNAMAPK8TP53MEN1KMT2A
SCHEMBL3285310 0.88 PTGS2 (0.43) LMNAADORA1MAPK8TP53MEN1
SCHEMBL3441803 0.88 LMNA (0.39) LMNAADORA1MAPK8TP53MEN1
SCHEMBL4787809 0.84 SMN1; SMN2 (0.40) LMNATP53MEN1KMT2AMAPT
SCHEMBL4788605 0.81 MAPT (0.44) LMNATP53MEN1KMT2AMAPT
SCHEMBL3287173 0.81 L3MBTL1 (0.43) LMNATP53MEN1KMT2AMAPT
SCHEMBL4885880 0.80 CNR1 (0.39) ADORA1MAPK8MEN1KMT2AMAPT
SCHEMBL3442037 0.79 ADORA3 (0.38) LMNAADORA1MEN1KMT2AMAPT
SCHEMBL3441633 0.78 MAPK8 (0.41) MAPK8MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL3289003 0.77 MAPK1 (0.40) LMNAADORA1MAPK8TP53MEN1

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 LMNA 4323/4885ADORA1 346/4885MAPK8 2988/4885

“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.