SCHEMBL3286170

SCHEMBL3286170

COCC(C)(C)OC(=O)c1c(N)nc(SC)n1-c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MAPK1 P28482 2/20 0.37
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP3A4 P08684 1/20 0.36
LMNA P02545 3/20 0.35
HPGD P15428 3/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HCAR1 Q9BXC0 1/20 0.35
KMT2A Q03164 6/20 0.35
MEN1 O00255 5/20 0.35
TSHR P16473 2/20 0.35
ALOX12 P18054 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAPT P10636 4/20 0.35
POLB P06746 2/20 0.35
SLC22A12 Q96S37 1/20 0.34
CYP1A2 P05177 1/20 0.34

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 0.86 HCAR1 (0.39) ALDH1A1SMN1; SMN2MAPK1CYP2C9CYP2C19
SCHEMBL3285313 0.85 MAPT (0.36) ALDH1A1SMN1; SMN2MAPK1CYP2C9CYP2C19
SCHEMBL3289003 0.84 MAPK1 (0.40) ALDH1A1SMN1; SMN2MAPK1LMNAHPGD
SCHEMBL3285303 0.83 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2MAPK1CYP2C9CYP2C19
SCHEMBL3285904 0.83 HCAR1 (0.37) ALDH1A1SMN1; SMN2MAPK1CYP2C9CYP2C19
SCHEMBL3441886 0.83 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2MAPK1LMNAHPGD
SCHEMBL3285773 0.81 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2MAPK1CYP2C9CYP2C19
SCHEMBL26611054 0.79 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2HPGDHSD17B10KMT2A
SCHEMBL3285310 0.78 PTGS2 (0.43) ALDH1A1SMN1; SMN2LMNAHPGDKMT2A
SCHEMBL3288323 0.77 HCAR1 (0.39) ALDH1A1SMN1; SMN2MAPK1CYP2C9CYP2C19

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 1225/4885SMN1; SMN2 1857/4885MAPK1 2524/4885

“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.