SCHEMBL4577091

SCHEMBL4577091

CCOC(=O)c1c(NC(=O)C(CC)c2ccccc2)nc(SC)n1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
ELOVL1 Q9BW60 1/20 0.45
POLB P06746 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
TSHR P16473 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KCNQ2 O43526 1/20 0.41
HDAC3 O15379 3/20 0.40
HDAC4 P56524 3/20 0.40
HDAC1 Q13547 3/20 0.40
HDAC7 Q8WUI4 3/20 0.40

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
SCHEMBL13325329 0.90 ALDH1A1 (0.47) ALDH1A1GAAMAPTPOLBMEN1
SCHEMBL4576752 0.85 POLB (0.43) ALDH1A1GAAELOVL1POLBMEN1
SCHEMBL13325326 0.80 RAB9A (0.47) ALDH1A1GAAMAPTPOLBLMNA
SCHEMBL13325184 0.79 ALDH1A1 (0.46) ALDH1A1GAAMAPTPOLBMEN1
SCHEMBL13325145 0.79 ALDH1A1 (0.46) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL13325171 0.78 ALDH1A1 (0.48) ALDH1A1GAAMAPTNPSR1
SCHEMBL13325146 0.77 ADORA3 (0.48) ALDH1A1GAAMAPTPOLBHTT
SCHEMBL13325319 0.77 KMT2A (0.51) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL26611054 0.75 ALDH1A1 (0.57) ALDH1A1GAAMAPTPOLBMEN1
SCHEMBL26611285 0.75 ALDH1A1 (0.46) ALDH1A1GAAMAPTMEN1KMT2A

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

“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.