SCHEMBL1399650

SCHEMBL1399650

COC(=O)CCO[C@H]1CC[C@H](c2ccc(NC(=O)C(=O)OC)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
HDAC3 O15379 2/20 0.39
HDAC11 Q96DB2 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HTT P42858 2/20 0.37
MAPT P10636 2/20 0.36
HPGD P15428 1/20 0.36
GAA P10253 1/20 0.36
NAMPT P43490 2/20 0.35
MITF O75030 1/20 0.34
KLF5 Q13887 1/20 0.34
HCRTR2 O43614 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
SCHEMBL1399648 1.00 ALDH1A1 (0.39) ALDH1A1HDAC3HDAC11HDAC8HDAC6
SCHEMBL3915505 0.91 MITF (0.39) ALDH1A1HDAC3HDAC11HDAC8HDAC6
SCHEMBL1399684 0.88 HDAC3 (0.40) ALDH1A1HDAC3HDAC11HDAC8HDAC6
SCHEMBL1399682 0.88 HDAC3 (0.40) ALDH1A1HDAC3HDAC11HDAC8HDAC6
SCHEMBL1399554 0.81 HCRTR2 (0.37) ALDH1A1MAPTHCRTR2
SCHEMBL1399553 0.81 HCRTR2 (0.37) ALDH1A1MAPTHCRTR2
SCHEMBL1399723 0.80 IDO1 (0.47) ALDH1A1HDAC3HDAC11HDAC8HDAC6
SCHEMBL1399630 0.79 MAPT (0.38) ALDH1A1MAPTHPGD
SCHEMBL1399628 0.79 MAPT (0.38) ALDH1A1MAPTHPGD
SCHEMBL3540920 0.76 NPC1 (0.51) ALDH1A1HDAC3HDAC11HDAC8HDAC6

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2035417-B1 BENZIMIDAZOLES AND THEIR USE FOR THE TREATEMNT OF DIABETES ASTRAZENECA AB (SE) 2011-03-02 EP disclosed
EP-2035417-B1 BENZIMIDAZOLES AND THEIR USE FOR THE TREATEMNT OF DIABETES ASTRAZENECA AB (SE) 2011-03-02 EP disclosed
US-20090197926-A1 BENZIMIDAZOLES AND THEIR USE FOR THE TREATMENT OF DIABETES ASTRAZENECA AB (SE) 2009-08-06 US disclosed
US-20090197926-A1 BENZIMIDAZOLES AND THEIR USE FOR THE TREATMENT OF DIABETES ASTRAZENECA AB (SE) 2009-08-06 US disclosed
US-20090197926-A1 BENZIMIDAZOLES AND THEIR USE FOR THE TREATMENT OF DIABETES ASTRAZENECA AB (SE) 2009-08-06 US disclosed
WO-2007141517-A1 BENZIMIDAZOLES AND THEIR USE FOR THE TREATEMNT OF DIABETES ASTRAZENECA AB (SE) 2007-12-13 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-20090197926-A1 BENZIMIDAZOLES AND THEIR USE FOR THE TREATMENT OF DIABETES DGAT1, ACAT1, DGAT2 ALDH1A1 112/4885HDAC3 71/4885HDAC11 275/4885

“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.