SCHEMBL4771095

SCHEMBL4771095

NC(Cc1ccc(Br)s1)C(=O)N1CCN(C(=O)c2cc(F)ccc2F)CC1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.61
DPP4 P27487 6/20 0.42
PARP1 P09874 6/20 0.40
AKT1 P31749 1/20 0.38
DPP7 Q9UHL4 2/20 0.38
DPP8 Q6V1X1 1/20 0.38
CYP3A4 P08684 1/20 0.38
KDM4E B2RXH2 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
DPP9 Q86TI2 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL4794877 0.88 HDAC8 (0.48) HDAC8DPP4CYP3A4L3MBTL1MEN1
SCHEMBL4792379 0.83 HDAC8 (0.66) HDAC8DPP4PARP1AKT1DPP8
SCHEMBL4771004 0.81 SMN1; SMN2 (0.50) DPP4AKT1MEN1KMT2A
SCHEMBL4775840 0.79 HDAC8 (0.45) HDAC8AKT1
SCHEMBL4772360 0.78 DPP9 (0.61) HDAC8DPP4DPP7DPP8DPP9
SCHEMBL4772362 0.78 DPP9 (0.61) HDAC8DPP4DPP7DPP8DPP9
SCHEMBL4776526 0.78 ALDH1A1 (0.46) DPP4AKT1DPP8CYP3A4KDM4E
SCHEMBL4908436 0.78 HDAC8 (0.71) HDAC8PARP1AKT1L3MBTL1MEN1
SCHEMBL4779328 0.78 HDAC8 (0.71) HDAC8DPP4AKT1
SCHEMBL4774404 0.77 KDM4E (0.50) HDAC8DPP4AKT1KDM4EL3MBTL1

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 16/4885DPP4 616/4885PARP1 789/4885

“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.