SCHEMBL14329705

SCHEMBL14329705

N#Cc1ccccc1-c1ccc(Cn2cccc(O)c2=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 2/20 0.57
VEGFA P15692 1/20 0.57
HDAC8 Q9BY41 6/20 0.49
HDAC6 Q9UBN7 5/20 0.49
ESR2 Q92731 1/20 0.49
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 2/20 0.48
POLB P06746 1/20 0.48
ACHE P22303 2/20 0.44
FFAR1 O14842 1/20 0.44
AKR1B1 P15121 1/20 0.44
PPARG P37231 2/20 0.42
IL1RN P18510 1/20 0.42
ERAP2 Q6P179 1/20 0.42
ERAP1 Q9NZ08 1/20 0.42
PRKAG1 P54619 1/20 0.42
PRKAA1 Q13131 1/20 0.42
PRKAB1 Q9Y478 1/20 0.42
CNR2 P34972 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
SCHEMBL14329819 0.85 HDAC8 (0.69) HDAC8HDAC6ESR2ACHEPPARG
SCHEMBL14328289 0.82 HDAC8 (0.71) EGLN1VEGFAHDAC8HDAC6ALDH1A1
SCHEMBL14328320 0.81 HDAC8 (0.72) EGLN1VEGFAHDAC8HDAC6ALDH1A1
SCHEMBL14328169 0.80 EGLN1 (0.71) EGLN1VEGFAHDAC8HDAC6POLB
SCHEMBL14328170 0.77 HDAC8 (0.74) EGLN1VEGFAHDAC8HDAC6ALDH1A1
SCHEMBL272388 0.76 EGLN1 (0.75) EGLN1VEGFAHDAC8HDAC6ALDH1A1
SCHEMBL9356553 0.75 ALDH1A1 (0.50) EGLN1VEGFAALDH1A1KDM4EPOLB
SCHEMBL14328266 0.74 HDAC8 (0.69) EGLN1VEGFAHDAC8HDAC6ALDH1A1
SCHEMBL9030149 0.74 PRKAG1 (0.53) ESR2ALDH1A1ACHEPPARGPRKAG1
SCHEMBL9337706 0.74 ADORA2A (0.53) ALDH1A1KDM4EPOLBPPARG

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-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

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 EGLN1 1258/4885VEGFA 4780/4885HDAC8 9/4885

“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.