SCHEMBL14328296

SCHEMBL14328296

CN(C)c1ccc(-c2ccc(Cn3cccc(O)c3=O)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 10/20 0.71
▸ EGLN1 Q9GZT9 2/20 0.62
▸ VEGFA P15692 1/20 0.62
▸ HDAC6 Q9UBN7 10/20 0.50
▸ IL1RN P18510 1/20 0.45
▸ ERAP2 Q6P179 1/20 0.45
▸ ERAP1 Q9NZ08 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ KMT2A Q03164 1/20 0.40

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
SCHEMBL14328266 0.84 HDAC8 (0.69) HDAC8EGLN1VEGFAHDAC6IL1RN
SCHEMBL14328169 0.84 EGLN1 (0.71) HDAC8EGLN1VEGFAHDAC6IL1RN
SCHEMBL14328213 0.83 HDAC8 (1.00) HDAC8EGLN1VEGFAHDAC6
SCHEMBL14328176 0.82 HDAC6 (0.75) HDAC8EGLN1VEGFAHDAC6IL1RN
SCHEMBL14322853 0.80 HDAC8 (0.70) HDAC8EGLN1VEGFAHDAC6IL1RN
SCHEMBL12598859 0.79 EGLN1 (0.73) HDAC8EGLN1VEGFAHDAC6ALDH1A1
SCHEMBL14328173 0.78 HDAC8 (0.73) HDAC8EGLN1VEGFAHDAC6IL1RN
SCHEMBL14328289 0.78 HDAC8 (0.71) HDAC8EGLN1VEGFAHDAC6IL1RN
SCHEMBL1770401 0.77 EGLN1 (1.00) HDAC8EGLN1VEGFAHDAC6ALDH1A1
SCHEMBL1870351 0.77 EGLN1 (0.76) HDAC8EGLN1VEGFAHDAC6ALDH1A1

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-8871728-B2 Non-peptide macrocyclic histone deacetylese (HDAC) inhibitors and methods of making and using thereof GEORGIA TECH RESEARCH CORPORATION (US) 2014-10-28 — — US disclosed
US-8871728-B2 Non-peptide macrocyclic histone deacetylese (HDAC) inhibitors and methods of making and using thereof GEORGIA TECH RESEARCH CORPORATION (US) 2014-10-28 — — US disclosed
US-20120329741-A1 NON-PEPTIDE MACROCYCLIC HISTONE DEACETYLASE (HDAC) INHIBITORS AND METHODS OF MAKING AND USING THEREOF GEORGIA TECH RESEARCH CORPORATION 2012-12-27 — — US disclosed
US-20120329741-A1 NON-PEPTIDE MACROCYCLIC HISTONE DEACETYLASE (HDAC) INHIBITORS AND METHODS OF MAKING AND USING THEREOF GEORGIA TECH RESEARCH CORPORATION 2012-12-27 — — 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-20120329741-A1 NON-PEPTIDE MACROCYCLIC HISTONE DEACETYLASE (HDAC) INHIBITORS AND METHODS OF MAKING AND USING THEREOF HDAC5, HDAC3, HDAC1 HDAC8 9/4885EGLN1 1258/4885VEGFA 4780/4885

“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.

Send feedback