SCHEMBL4779003

SCHEMBL4779003

N[C@H](Cc1ccc(Br)s1)C(=O)N1Cc2ccccc2C1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 10/20 0.60
HDAC3 O15379 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
DPP8 Q6V1X1 6/20 0.51
DPP7 Q9UHL4 6/20 0.51
DPP9 Q86TI2 5/20 0.51
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
DPP4 P27487 2/20 0.46
NLN Q9BYT8 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
SCHEMBL4779013 1.00 HDAC8 (0.60) HDAC8HDAC3HDAC1HDAC2HDAC6
SCHEMBL4794065 0.88 DPP9 (0.54) HDAC8HDAC3HDAC1HDAC2HDAC6
SCHEMBL4794074 0.88 DPP9 (0.54) HDAC8HDAC3HDAC1HDAC2HDAC6
SCHEMBL4794727 0.86 DPP8 (0.54) HDAC8HDAC3HDAC1HDAC2HDAC6
SCHEMBL4779481 0.86 DPP8 (0.54) HDAC8HDAC3HDAC1HDAC2HDAC6
SCHEMBL4772362 0.86 DPP9 (0.61) HDAC8HDAC3HDAC1HDAC2HDAC6
SCHEMBL4772360 0.86 DPP9 (0.61) HDAC8HDAC3HDAC1HDAC2HDAC6
SCHEMBL4794478 0.83 HDAC8 (0.53) HDAC8HDAC3HDAC1HDAC2HDAC6
SCHEMBL4794488 0.83 HDAC8 (0.53) HDAC8HDAC3HDAC1HDAC2HDAC6
SCHEMBL4909738 0.82 HDAC8 (0.49) 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.