SCHEMBL3285303

SCHEMBL3285303

CSc1nc(N)c(C(=O)OCC(C)(C)C)n1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.41
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.41
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
HCAR1 Q9BXC0 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
SLC22A12 Q96S37 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TSHR P16473 1/20 0.36
PDE7A Q13946 1/20 0.36
PDE7B Q9NP56 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 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
SCHEMBL26611054 0.87 ALDH1A1 (0.57) ALDH1A1MAPTGAAKDM4EHPGD
SCHEMBL3287425 0.84 HCAR1 (0.39) ALDH1A1MAPTGAAKDM4EHPGD
SCHEMBL3286170 0.83 ALDH1A1 (0.37) ALDH1A1MAPTGAAKDM4EHPGD
SCHEMBL3285904 0.81 HCAR1 (0.37) ALDH1A1MAPTGAAHPGDHSD17B10
SCHEMBL3288323 0.80 HCAR1 (0.39) ALDH1A1MAPTGAAKDM4EHPGD
SCHEMBL3285773 0.80 ALDH1A1 (0.38) ALDH1A1MAPTKDM4EHPGDHSD17B10
SCHEMBL3285313 0.79 MAPT (0.36) ALDH1A1MAPTGAAKDM4EHPGD
SCHEMBL3288851 0.78 PTGS2 (0.45) ALDH1A1GAAHPGDMEN1KMT2A
SCHEMBL13325334 0.76 ALDH1A1 (0.43) ALDH1A1MAPTGAAKDM4EHPGD
SCHEMBL3290383 0.76 MEN1 (0.37) ALDH1A1MAPTGAAKDM4EHPGD

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 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 ALDH1A1 1225/4885MAPT 2262/4885GAA 803/4885

“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.