SCHEMBL3285773

SCHEMBL3285773

CSc1nc(N)c(C(=O)OC(C)(C)C#N)n1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.38
HCAR1 Q9BXC0 1/20 0.36
SLC22A12 Q96S37 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPK1 P28482 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
TSHR P16473 1/20 0.35
LMNA P02545 1/20 0.34
HPGD P15428 3/20 0.34
HTT P42858 1/20 0.34
POLB P06746 2/20 0.33
HSD17B10 Q99714 2/20 0.33
ALOX15 P16050 1/20 0.33
KDM4E B2RXH2 3/20 0.33
MAPT P10636 2/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
CASP1 P29466 1/20 0.32

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
SCHEMBL3287425 0.87 HCAR1 (0.39) ALDH1A1HCAR1SLC22A12SMN1; SMN2MAPK1
SCHEMBL3285904 0.84 HCAR1 (0.37) ALDH1A1HCAR1SLC22A12SMN1; SMN2MAPK1
SCHEMBL3286170 0.81 ALDH1A1 (0.37) ALDH1A1HCAR1SLC22A12SMN1; SMN2MAPK1
SCHEMBL3285313 0.80 MAPT (0.36) ALDH1A1HCAR1SLC22A12SMN1; SMN2MAPK1
SCHEMBL3285303 0.80 ALDH1A1 (0.41) ALDH1A1HCAR1SLC22A12SMN1; SMN2MAPK1
SCHEMBL3288323 0.78 HCAR1 (0.39) ALDH1A1HCAR1SMN1; SMN2MAPK1MEN1
SCHEMBL26611054 0.78 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL3292421 0.78 PTGS2 (0.41) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL13325334 0.75 ALDH1A1 (0.43) ALDH1A1HCAR1SMN1; SMN2MAPK1MEN1
SCHEMBL3290383 0.74 MEN1 (0.37) ALDH1A1HCAR1SMN1; SMN2MAPK1MEN1

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 1225/4885HCAR1 181/4885SLC22A12 1797/4885

“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.