SCHEMBL4576752

SCHEMBL4576752

CCOC(=O)c1c(NC(=O)C(CC)c2ccccc2)nc(SC)n1Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 3/20 0.42
KCNQ2 O43526 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ELOVL1 Q9BW60 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL13325240 0.90 LMNA (0.44) POLBMEN1KMT2AALDH1A1LMNA
SCHEMBL13325207 0.88 TSHR (0.51) POLBMEN1KMT2AALDH1A1LMNA
SCHEMBL13325208 0.87 SMN1; SMN2 (0.51) POLBALDH1A1LMNASMN1; SMN2TSHR
SCHEMBL13325302 0.85 ALDH1A1 (0.48) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL13325226 0.85 KDM4E (0.47) POLBMEN1KMT2AALDH1A1LMNA
SCHEMBL4577091 0.85 ALDH1A1 (0.46) POLBCRHBPCRHR2MEN1KMT2A
SCHEMBL13325213 0.84 ALDH1A1 (0.42) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL13325305 0.84 HTT (0.49) POLBALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL13325242 0.84 MAPK8 (0.46) ALDH1A1LMNATSHRL3MBTL1NPSR1
SCHEMBL13325178 0.84 TSHR (0.50) POLBMEN1KMT2AALDH1A1LMNA

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 3 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-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 POLB 4500/4885CRHBP 1209/4885CRHR2 296/4885

“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.