Sugi Predict

Sugi Predict / Compounds / SCHEMBL2828967

SCHEMBL2828967

SCHEMBL2828967

CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccc(-c2ccnc(OCCCN3CCOCC3)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 1/20 0.53
▸ HRH3 Q9Y5N1 1/20 0.47
▸ EPHX2 P34913 2/20 0.45
▸ HDAC1 Q13547 6/20 0.44
▸ ROCK2 O75116 2/20 0.43
▸ ROCK1 Q13464 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ HDAC2 Q92769 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ GAA P10253 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ KDR P35968 1/20 0.42
▸ HDAC3 O15379 1/20 0.42
▸ BCL3 P20749 1/20 0.42
▸ EGLN1 Q9GZT9 1/20 0.42

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
SCHEMBL2473142 0.77 CD274 (0.54) CD274HDAC1POLBALDH1A1GAA
SCHEMBL3835165 0.75 CD274 (0.58) CD274EPHX2HDAC1POLBALDH1A1
SCHEMBL1482637 0.74 CD274 (0.52) CD274HDAC1POLBALDH1A1GAA
SCHEMBL2828988 0.74 MCHR1 (0.48) CD274HDAC1POLBGAAKDR
SCHEMBL15683194 0.73 HDAC1 (0.72) CD274HDAC1HDAC2HDAC3
SCHEMBL15683682 0.73 HDAC2 (0.72) CD274HDAC1HDAC2HDAC3
SCHEMBL2829960 0.73 CYP17A1 (0.56) HDAC1ROCK2ROCK1POLBHDAC2
SCHEMBL4392196 0.73 CD274 (0.46) CD274EPHX2HDAC1POLBALDH1A1
SCHEMBL2477396 0.72 CASR (0.49) CD274ROCK2ALDH1A1
SCHEMBL2832268 0.72 MKNK1 (0.51) HDAC1HDAC2KDRHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1495002-B1 BENZAMIDE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS ASTRAZENECA AB (SE) 2012-09-05 — — EP disclosed
US-8247562-B2 Benzamide derivatives useful as histone deacetylase inhibitors ASTRAZENECA AB (SE) 2012-08-21 — — US disclosed
US-20100331329-A1 BENZAMIDE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS ASTRAZENECA AB (SE) 2010-12-30 — — US disclosed
US-20090029991-A1 BENZAMIDE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS ASTRAZENECA AB (SE) 2009-01-29 — — US disclosed
US-20050171103-A1 Benzamide derivatives useful as histone deacetylase inhibitors ASTRAZENECA AB (SE) 2005-08-04 — — US disclosed
EP-1495002-A1 BENZAMIDE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS Astrazeneca AB (SE) 2005-01-12 — — EP disclosed
WO-2003087057-A1 BENZAMIDE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS ASTRAZENECA AB (SE) 2003-10-23 — — 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 (3 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-20050171103-A1 Benzamide derivatives useful as histone deacetylase inhibitors HDAC3, HDAC1, HDAC4 CD274 4642/4885HRH3 52/4885EPHX2 2512/4885
US-20090029991-A1 BENZAMIDE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC2 CD274 4717/4885HRH3 32/4885EPHX2 2049/4885
US-20100331329-A1 BENZAMIDE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC1, HDAC4 CD274 4648/4885HRH3 51/4885EPHX2 2543/4885

“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.