SCHEMBL4773301

SCHEMBL4773301

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

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 9/20 0.58
HDAC1 Q13547 3/20 0.58
HDAC3 O15379 1/20 0.58
HDAC2 Q92769 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
AKT1 P31749 1/20 0.58
AKT2 P31751 1/20 0.58
AKT3 Q9Y243 1/20 0.58
MC4R P32245 7/20 0.57
HTR1A P08908 1/20 0.47
HTR2A P28223 1/20 0.47
HTR7 P34969 1/20 0.47
HTR6 P50406 1/20 0.47
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
RECQL P46063 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL4773603 0.92 HDAC8 (0.64) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL4908327 0.88 HDAC8 (0.58) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL4772278 0.87 HDAC8 (0.60) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL4775327 0.85 HDAC8 (0.60) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL4770617 0.84 AKT1 (0.59) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL4778450 0.82 HDAC8 (0.58) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL4778417 0.82 AKT1 (0.54) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL4772251 0.79 AKT1 (0.60) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL3792055 0.79 HDAC8 (0.70) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL3792052 0.79 HDAC8 (0.70) 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 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 16/4885HDAC1 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.