SCHEMBL4576808

SCHEMBL4576808

CCOC(=O)c1c(NC(=O)c2ccc(Cl)cc2)nc(SC)n1CCC(C)C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
THRB P10828 1/20 0.38
HTT P42858 3/20 0.38
HPGD P15428 3/20 0.38
KDM4E B2RXH2 1/20 0.38
CNR2 P34972 4/20 0.37
LMNA P02545 3/20 0.37
BCHE P06276 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL13325177 0.90 ADORA3 (0.43) ALDH1A1KMT2AMEN1HPGDKDM4E
SCHEMBL13325186 0.90 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2KMT2AMEN1HPGD
SCHEMBL4576362 0.83 CYP19A1 (0.45) ALDH1A1SMN1; SMN2KMT2AMEN1HTT
SCHEMBL13325188 0.83 KDM4E (0.51) ALDH1A1SMN1; SMN2KMT2AMEN1HPGD
SCHEMBL13325160 0.80 MAPT (0.45) ALDH1A1SMN1; SMN2KMT2AMEN1HPGD
SCHEMBL13325193 0.80 MAPT (0.46) ALDH1A1SMN1; SMN2KMT2AMEN1HTT
SCHEMBL13325145 0.78 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2KMT2AMEN1HTT
SCHEMBL4893882 0.78 CNR2 (0.42) ALDH1A1SMN1; SMN2KMT2ATHRBHTT
SCHEMBL4577097 0.78 HPGD (0.42) SMN1; SMN2KMT2AMEN1HPGDKDM4E
SCHEMBL13325305 0.77 HTT (0.49) ALDH1A1SMN1; SMN2HTTHPGDKDM4E

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 1225/4885SMN1; SMN2 1857/4885KMT2A 2837/4885

“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.