SCHEMBL4793549

SCHEMBL4793549

COc1cc(NC(=O)Nc2ccc3c(c2)CN(C(=O)C(N)Cc2ccc(Cl)cc2Cl)C3)cc(OC)c1OC

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 12/20 0.71
HDAC1 Q13547 3/20 0.71
HDAC3 O15379 1/20 0.58
HDAC2 Q92769 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
NAMPT P43490 2/20 0.41
NPC1 O15118 1/20 0.40
MC4R P32245 1/20 0.40
TP53 P04637 1/20 0.39
ALPL P05186 1/20 0.39
ALPI P09923 1/20 0.39
ALPG P10696 1/20 0.39
DPP8 Q6V1X1 1/20 0.39

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
SCHEMBL4793542 1.00 HDAC8 (0.71) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL4899538 0.90 HDAC8 (0.67) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL4909860 0.90 HDAC8 (0.74) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL4909844 0.90 HDAC8 (0.74) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL4795168 0.88 HDAC8 (0.79) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL4795180 0.88 HDAC8 (0.79) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL4792648 0.87 HDAC8 (0.67) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL4792642 0.87 HDAC8 (0.67) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL4795258 0.86 HDAC8 (0.79) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL4795266 0.86 HDAC8 (0.79) HDAC8HDAC1HDAC3HDAC2HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1996550-A2 CARBOXYAMINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF HDAC DEPENDENT DISEASES Novartis AG (CH) 2008-12-03 EP disclosed
US-20080255149-A1 Carboxyamine Compounds and Methods of Use Thereof NOVARTIS AG 2008-10-16 US disclosed
WO-2007038459-A2 CARBOXYAMINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF HDAC DEPENDENT DISEASES NOVARTIS AG (CH) 2007-04-05 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-20080255149-A1 Carboxyamine Compounds and Methods of Use Thereof HNMT, HDAC5, HDAC4 HDAC8 16/4885HDAC1 12/4885HDAC3 4/4885

“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.