SCHEMBL1801696

SCHEMBL1801696

COC(=O)Cc1cccc(CN(CCc2ccccc2O)C(=O)OC(C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.42
GLS O94925 2/20 0.41
HDAC3 O15379 2/20 0.39
HDAC2 Q92769 2/20 0.39
NCOR2 Q9Y618 2/20 0.39
SLC7A5 Q01650 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TLR7 Q9NYK1 4/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
GFER P55789 1/20 0.38
NAMPT P43490 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
BACE1 P56817 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
PTGES O14684 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
SCHEMBL1800444 0.86 HDAC1 (0.42) HDAC1GLSHDAC3HDAC2NCOR2
SCHEMBL1801898 0.86 GLS (0.46) HDAC1GLSHDAC3HDAC2NCOR2
SCHEMBL27761588 0.83 HDAC1 (0.42) HDAC1GLSHDAC3HDAC2NCOR2
SCHEMBL13849611 0.83 TLR7 (0.42) HDAC1GLSHDAC3HDAC2NCOR2
SCHEMBL2292448 0.80 HDAC1 (0.48) HDAC1HDAC3HDAC2NCOR2ALDH1A1
SCHEMBL3934276 0.78 ALDH1A1 (0.46) HDAC1HDAC3HDAC2NCOR2TDP1
SCHEMBL14987122 0.77 GLS (0.54) GLSSLC7A5ALDH1A1GAAGFER
SCHEMBL1801093 0.77 HDAC1 (0.43) HDAC1GLSHDAC3HDAC2NCOR2
SCHEMBL1800461 0.76 PTGDR2 (0.46) ALDH1A1PTGDR2
SCHEMBL5884593 0.76 HDAC1 (0.53) HDAC1HDAC3HDAC2NCOR2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7951954-B2 Bezothiazol derivatives as Beta2 adrenoreceptor agonists ASTRAZENECA AB (SE) 2011-05-31 US disclosed
US-20090062259-A1 Bezothiazol Derivatives as Beta2 Adrenoreceptor Agonists ASTRAZENECA AB (SE) 2009-03-05 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-20090062259-A1 Bezothiazol Derivatives as Beta2 Adrenoreceptor Agonists ADRB2, ADRB1, ADRB3 HDAC1 611/4885GLS 4102/4885HDAC3 562/4885

“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.