SCHEMBL4778149

SCHEMBL4778149

NC(Cc1ccc(Br)s1)C(=O)N1CCN(C(=O)c2c(Cl)ncc(F)c2Cl)CC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.39
AKT1 P31749 12/20 0.38
ABL1 P00519 1/20 0.36
BCR P11274 1/20 0.36
RECQL P46063 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
AKT2 P31751 1/20 0.34
AKT3 Q9Y243 1/20 0.34
DPP4 P27487 1/20 0.34
DPP9 Q86TI2 1/20 0.34
NLN Q9BYT8 2/20 0.33

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
SCHEMBL4794759 0.85 DPP4 (0.43) HDAC8AKT1AKT2AKT3DPP4
SCHEMBL4770020 0.82 AKT1 (0.52) HDAC8AKT1AKT2AKT3DPP4
SCHEMBL4795132 0.80 AKT1 (0.52) HDAC8AKT1AKT2AKT3DPP4
SCHEMBL4778057 0.79 DPP4 (0.44) HDAC8AKT1AKT2AKT3DPP4
SCHEMBL4779275 0.78 HDAC8 (0.65) HDAC8AKT1AKT2AKT3DPP4
SCHEMBL4771095 0.75 HDAC8 (0.61) HDAC8AKT1L3MBTL1DPP4DPP9
SCHEMBL4796127 0.75 HDAC8 (0.52) HDAC8AKT1L3MBTL1AKT2AKT3
SCHEMBL4778154 0.75 ABL1 (0.34) ABL1BCRRECQLHSD17B10
SCHEMBL4776526 0.74 ALDH1A1 (0.46) AKT1L3MBTL1DPP4
SCHEMBL4776929 0.74 L3MBTL1 (0.53) AKT1RECQLHSD17B10L3MBTL1AKT2

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 16/4885AKT1 3114/4885ABL1 2569/4885

“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.