SCHEMBL4775671

SCHEMBL4775671

NC(Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 8/20 0.65
HDAC3 O15379 1/20 0.65
HDAC1 Q13547 1/20 0.65
HDAC2 Q92769 1/20 0.65
HDAC6 Q9UBN7 1/20 0.65
AKT1 P31749 1/20 0.58
AKT2 P31751 1/20 0.58
AKT3 Q9Y243 1/20 0.58
MC4R P32245 2/20 0.57
DPP8 Q6V1X1 1/20 0.56
CACNA1G O43497 4/20 0.54
CNR1 P21554 1/20 0.53
CNR2 P34972 1/20 0.53
CACNA2D1 P54289 5/20 0.52
CACNB1 Q02641 5/20 0.52
CACNA1B Q00975 4/20 0.52
CACNA1C Q13936 4/20 0.52
CACNA1A O00555 1/20 0.51

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
SCHEMBL4794654 0.89 HDAC8 (0.56) HDAC8HDAC3HDAC1HDAC2HDAC6
SCHEMBL4770926 0.89 AKT1 (0.55) AKT1AKT2AKT3MC4RDPP8
SCHEMBL4772720 0.87 CACNA1G (0.54) CACNA1GCNR1CNR2CACNA2D1CACNB1
SCHEMBL4795016 0.84 HDAC8 (0.67) HDAC8HDAC3HDAC1HDAC2HDAC6
SCHEMBL4779236 0.84 DPP8 (0.63) AKT1AKT2AKT3DPP8CACNA1G
SCHEMBL4770308 0.83 DPP8 (0.51) AKT1DPP8CACNA1GCNR1CNR2
SCHEMBL4772655 0.83 DPP8 (0.48) HDAC8HDAC3HDAC1HDAC2HDAC6
SCHEMBL4776988 0.83 HDAC8 (0.60) HDAC8AKT1AKT2AKT3DPP8
SCHEMBL3792055 0.81 HDAC8 (0.70) HDAC8HDAC3HDAC1HDAC2HDAC6
SCHEMBL3792052 0.81 HDAC8 (0.70) HDAC8HDAC3HDAC1HDAC2HDAC6

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 6 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
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 16/4885HDAC3 4/4885HDAC1 12/4885

“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.