SCHEMBL4795360

SCHEMBL4795360

NC(Cc1ccc(Cl)cc1Cl)C(=O)N1CCC(Sc2ccccn2)CC1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 12/20 0.56
HDAC1 Q13547 3/20 0.56
HDAC3 O15379 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
AKT1 P31749 1/20 0.54
AKT2 P31751 1/20 0.54
AKT3 Q9Y243 1/20 0.54
MC4R P32245 5/20 0.49
EPHX2 P34913 2/20 0.45

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
SCHEMBL4902706 1.00 HDAC8 (0.56) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL4911051 0.85 MC4R (0.46) MC4REPHX2
SCHEMBL4774443 0.79 HDAC8 (0.61) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL4778422 0.78 HDAC8 (0.59) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL29868077 0.77 HDAC8 (0.61) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL4911059 0.73 POLB (0.41) EPHX2
SCHEMBL4795016 0.73 HDAC8 (0.67) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL29868222 0.73 HDAC8 (0.61) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL4773360 0.73 HDAC8 (0.58) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL4778471 0.73 HDAC8 (0.58) 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.