SCHEMBL1799253

SCHEMBL1799253

COCOc1ccccc1CN(Cc1cccc(CC=O)c1)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC2 Q92769 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
PTGES O14684 2/20 0.39
SLC1A5 Q15758 3/20 0.37
CETP P11597 1/20 0.35
HTR2C P28335 1/20 0.35
SLC6A4 P31645 1/20 0.35
BACE1 P56817 3/20 0.34
ITGA4 P13612 1/20 0.34
ITGB7 P26010 1/20 0.34
TSHR P16473 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PPARD Q03181 1/20 0.33
GLS O94925 1/20 0.33
RAF1 P04049 1/20 0.33
MAP2K1 Q02750 1/20 0.33

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
SCHEMBL1802321 0.88 HDAC1 (0.39) HDAC1HDAC3HDAC2NCOR2PTGES
SCHEMBL27761611 0.81 MEN1 (0.36) SLC1A5MEN1KMT2A
SCHEMBL1798552 0.80 HDAC1 (0.41) HDAC1HDAC3HDAC2NCOR2
SCHEMBL1798300 0.77 HDAC1 (0.42) HDAC1HDAC3HDAC2NCOR2PTGES
SCHEMBL1803367 0.77 HDAC1 (0.41) HDAC1HDAC3HDAC2NCOR2BACE1
SCHEMBL1797802 0.77 PTGES (0.48) HDAC1HDAC3HDAC2NCOR2PTGES
SCHEMBL1799273 0.74 BACE1 (0.40) HDAC1HDAC3HDAC2NCOR2PTGES
SCHEMBL27761610 0.73 CAPN1 (0.38) SLC1A5ITGA4ITGB7
SCHEMBL1801058 0.72 RAF1 (0.43) HDAC1HDAC3HDAC2GLSRAF1
SCHEMBL4949334 0.70 KDM4E (0.43) SLC6A4

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 4 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
EP-1996566-A1 BEZOTHIAZOL DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS AstraZeneca AB (SE) 2008-12-03 EP disclosed
WO-2007106016-A1 BEZOTHIAZOL DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS ASTRAZENECA AB (SE) 2007-09-20 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-20090062259-A1 Bezothiazol Derivatives as Beta2 Adrenoreceptor Agonists ADRB2, ADRB1, ADRB3 HDAC1 611/4885HDAC3 562/4885HDAC2 127/4885

“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.