SCHEMBL4576818

SCHEMBL4576818

CCOC(=O)c1c(NC(=O)c2ccc(C(C)(C)C)cc2)nc(SC)n1Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 3/20 0.44
MAPT P10636 3/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
AURKA O14965 1/20 0.42
ALDH1A1 P00352 3/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 2/20 0.42
POLB P06746 1/20 0.42
GAA P10253 2/20 0.42

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
SCHEMBL13325305 0.92 HTT (0.49) SMN1; SMN2LMNAALDH1A1HTTPOLB
SCHEMBL4576362 0.90 CYP19A1 (0.45) SMN1; SMN2LMNAMAPTALDH1A1HTT
SCHEMBL13325250 0.90 PDE6D (0.49) SMN1; SMN2LMNAMAPTALDH1A1HTT
SCHEMBL4576601 0.90 ADORA3 (0.49) SMN1; SMN2MAPTHDAC3HDAC4HDAC1
SCHEMBL13325204 0.89 ALDH1A1 (0.55) MAPTALDH1A1NPSR1GAANPC1
SCHEMBL13325237 0.88 POLB (0.45) LMNAMAPTALDH1A1HTTNPSR1
SCHEMBL13325272 0.87 MAPT (0.48) SMN1; SMN2LMNAMAPTALDH1A1HTT
SCHEMBL13325317 0.87 PTGDR2 (0.44) ALDH1A1RAB9ANPC1TSHRKMT2A
SCHEMBL13325209 0.86 CFTR (0.46) LMNAALDH1A1GAATP53KDM4E
SCHEMBL13325228 0.86 NPC1 (0.48) SMN1; SMN2LMNAMAPTALDH1A1HTT

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 SMN1; SMN2 1857/4885LMNA 4323/4885MAPT 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.