SCHEMBL1399684

SCHEMBL1399684

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

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.40
HDAC11 Q96DB2 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
MAPT P10636 2/20 0.38
ALDH1A1 P00352 3/20 0.37
HPGD P15428 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NAMPT P43490 3/20 0.36
MITF O75030 1/20 0.36
KLF5 Q13887 1/20 0.36
HCRTR2 O43614 1/20 0.35
DEGS1 O15121 1/20 0.35
SLC18A3 Q16572 1/20 0.35
IDO1 P14902 1/20 0.35

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
SCHEMBL1399682 1.00 HDAC3 (0.40) HDAC3HDAC11HDAC8HDAC6MAPT
SCHEMBL1399648 0.88 ALDH1A1 (0.39) HDAC3HDAC11HDAC8HDAC6MAPT
SCHEMBL1399650 0.88 ALDH1A1 (0.39) HDAC3HDAC11HDAC8HDAC6MAPT
SCHEMBL3915505 0.83 MITF (0.39) HDAC3HDAC11HDAC8HDAC6MAPT
SCHEMBL1399723 0.82 IDO1 (0.47) HDAC3HDAC11HDAC8HDAC6MAPT
SCHEMBL14113476 0.80 HCRTR2 (0.38) MAPTALDH1A1HCRTR2
SCHEMBL1399596 0.80 HCRTR2 (0.38) MAPTALDH1A1HCRTR2
SCHEMBL1399597 0.80 HCRTR2 (0.38) MAPTALDH1A1HCRTR2
SCHEMBL1399671 0.78 ALDH1A1 (0.41) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL1399672 0.78 ALDH1A1 (0.41) MAPTALDH1A1HPGDMEN1KMT2A

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
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

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 HDAC3 71/4885HDAC11 275/4885HDAC8 328/4885

“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.