SCHEMBL4778417

SCHEMBL4778417

NC(Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2cccc(-c3cccnc3)c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.54
AKT2 P31751 1/20 0.54
AKT3 Q9Y243 1/20 0.54
HDAC8 Q9BY41 7/20 0.52
HDAC3 O15379 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
MC4R P32245 10/20 0.51
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL4908327 0.90 HDAC8 (0.58) AKT1AKT2AKT3HDAC8HDAC3
SCHEMBL4772278 0.89 HDAC8 (0.60) AKT1AKT2AKT3HDAC8HDAC3
SCHEMBL4773603 0.86 HDAC8 (0.64) AKT1AKT2AKT3HDAC8HDAC3
SCHEMBL4773301 0.82 HDAC8 (0.58) AKT1AKT2AKT3HDAC8HDAC3
SCHEMBL4779221 0.80 HDAC8 (0.56) AKT1AKT2AKT3HDAC8HDAC3
SCHEMBL4775327 0.79 HDAC8 (0.60) AKT1AKT2AKT3HDAC8HDAC3
SCHEMBL4770617 0.78 AKT1 (0.59) AKT1AKT2AKT3HDAC8HDAC3
SCHEMBL4778450 0.76 HDAC8 (0.58) AKT1AKT2AKT3HDAC8HDAC3
SCHEMBL4908893 0.76 HDAC8 (0.48) AKT1AKT2AKT3HDAC8HDAC3
SCHEMBL4772251 0.76 AKT1 (0.60) AKT1AKT2AKT3HDAC8HDAC3

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
EP-1996550-A2 CARBOXYAMINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF HDAC DEPENDENT DISEASES Novartis AG (CH) 2008-12-03 EP claimed
US-20080255149-A1 Carboxyamine Compounds and Methods of Use Thereof NOVARTIS AG 2008-10-16 US claimed
WO-2007038459-A2 CARBOXYAMINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF HDAC DEPENDENT DISEASES NOVARTIS AG (CH) 2007-04-05 WO claimed
US-20080255149-A1 Carboxyamine Compounds and Methods of Use Thereof NOVARTIS AG 2008-10-16 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-20080255149-A1 Carboxyamine Compounds and Methods of Use Thereof HNMT, HDAC5, HDAC4 AKT1 3114/4885AKT2 2960/4885AKT3 3021/4885

“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.