SCHEMBL3286763

SCHEMBL3286763

CSc1nc(NC(=O)c2ccc(Cl)cc2)c(C(=O)OC(C)(C)C(C)=O)n1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.42
LMNA P02545 3/20 0.41
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
TMIGD3 P0DMS9 1/20 0.38
ALDH1A1 P00352 1/20 0.37
F2 P00734 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDR P35968 1/20 0.37
GRM5 P41594 1/20 0.36
GAA P10253 2/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPK8 P45983 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
TP53 P04637 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
KLK7 P49862 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL3292421 0.87 PTGS2 (0.41) PTGS2LMNAKMT2AMEN1TMIGD3
SCHEMBL3285310 0.86 PTGS2 (0.43) PTGS2LMNAKMT2AMEN1TMIGD3
SCHEMBL3288851 0.86 PTGS2 (0.45) PTGS2LMNAKMT2AMEN1TMIGD3
SCHEMBL3288330 0.85 PTGS2 (0.40) PTGS2LMNAKMT2AMEN1TMIGD3
SCHEMBL13325145 0.85 ALDH1A1 (0.46) PTGS2LMNAKMT2AMEN1ALDH1A1
SCHEMBL4576546 0.84 PTGS2 (0.49) PTGS2LMNAKMT2AMEN1TMIGD3
SCHEMBL3288354 0.84 PTGS2 (0.44) PTGS2LMNAKMT2AMEN1TMIGD3
SCHEMBL3287632 0.82 ALDH1A1 (0.43) PTGS2LMNAKMT2AMEN1TMIGD3
SCHEMBL3284471 0.81 SMN1; SMN2 (0.44) PTGS2LMNAKMT2AMEN1TMIGD3
SCHEMBL3285785 0.79 PTGS2 (0.41) PTGS2LMNAKMT2AMEN1TMIGD3

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 10 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
EP-1761531-A1 IMIDAZOLE VARIANTS AS MODULATORS OF GABA RECEPTOR FOR THE TREATMENT OF GI DISORDERS AstraZeneca AB (SE) 2007-03-14 EP disclosed
WO-2006001750-A1 IMIDAZOLE VARIANTS AS MODULATORS OF GABA RECEPTOR FOR THE TREATMENT OF GI DISORDERS ASTRAZENECA AB (SE) 2006-01-05 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-20080269216-A1 Imidazole Variants as Modulators of Gaba Receptor For the Treatment of Gi Disorders GABRB1, GABBR2, GABBR1 PTGS2 405/4885LMNA 4323/4885KMT2A 2837/4885

“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.