SCHEMBL4775592

SCHEMBL4775592

NC(Cc1ccc(Br)s1)C(=O)N1Cc2ccc(NC(=O)c3ccccc3)cc2C1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 9/20 0.49
L3MBTL3 Q96JM7 1/20 0.49
TMPRSS2 O15393 1/20 0.48
HDAC1 Q13547 3/20 0.48
NAMPT P43490 5/20 0.45
ACHE P22303 1/20 0.43
HSD17B3 P37058 1/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
GAA P10253 1/20 0.42
NFKB1 P19838 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL4909738 1.00 HDAC8 (0.49) HDAC8L3MBTL3TMPRSS2HDAC1NAMPT
SCHEMBL4879687 0.87 L3MBTL3 (0.48) HDAC8L3MBTL3TMPRSS2NAMPTACHE
SCHEMBL4879694 0.87 L3MBTL3 (0.48) HDAC8L3MBTL3TMPRSS2NAMPTACHE
SCHEMBL4779013 0.82 HDAC8 (0.60) HDAC8HDAC1NPC1RAB9AHDAC3
SCHEMBL4779003 0.82 HDAC8 (0.60) HDAC8HDAC1NPC1RAB9AHDAC3
SCHEMBL4794074 0.81 DPP9 (0.54) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL4794065 0.81 DPP9 (0.54) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL4794126 0.79 HDAC8 (0.76) HDAC8TMPRSS2HDAC1ACHEHDAC3
SCHEMBL4792576 0.79 HDAC8 (0.76) HDAC8TMPRSS2HDAC1ACHEHDAC3
SCHEMBL4772360 0.79 DPP9 (0.61) 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 7 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
CN-101282932-A Carboxyamine compounds and their use in the treatment of HDAC dependent diseases NOVARTIS AG (CH) 2008-10-08 CN 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 16/4885L3MBTL3 2446/4885TMPRSS2 2421/4885

“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.