SCHEMBL4792124

SCHEMBL4792124

CN(C)c1ccc(CC(=O)Nc2ccc3c(c2)CN(C(=O)C(N)Cc2ccc(Cl)cc2Cl)C3)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 12/20 0.79
HDAC1 Q13547 3/20 0.70
HDAC3 O15379 1/20 0.57
HDAC2 Q92769 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
TMPRSS2 O15393 1/20 0.40
AKT1 P31749 1/20 0.40
CACNA1G O43497 1/20 0.39
CACNA1H O95180 1/20 0.39
CACNA1I Q9P0X4 1/20 0.39
MC4R P32245 1/20 0.39
RORC P51449 1/20 0.39
NAMPT P43490 1/20 0.39
SLC1A3 P43003 1/20 0.38
SLC1A2 P43004 1/20 0.38
SLC1A1 P43005 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
GFER P55789 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL4792119 1.00 HDAC8 (0.79) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL4794413 0.90 HDAC8 (0.75) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL4794421 0.90 HDAC8 (0.75) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL4793597 0.88 HDAC8 (0.73) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL4793584 0.88 HDAC8 (0.73) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL4904811 0.85 HDAC8 (0.67) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL4904815 0.85 HDAC8 (0.67) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL4795148 0.85 HDAC8 (0.82) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL4795155 0.85 HDAC8 (0.82) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL4794700 0.83 HDAC8 (0.79) 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 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 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.