SCHEMBL4772362

SCHEMBL4772362

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

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP9 Q86TI2 11/20 0.61
DPP8 Q6V1X1 9/20 0.56
DPP4 P27487 6/20 0.53
DPP7 Q9UHL4 5/20 0.53
PITRM1 Q5JRX3 1/20 0.47
HDAC8 Q9BY41 7/20 0.45
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL4772360 1.00 DPP9 (0.61) DPP9DPP8DPP4DPP7PITRM1
SCHEMBL4794065 0.88 DPP9 (0.54) DPP9DPP8DPP7HDAC8HDAC3
SCHEMBL4794074 0.88 DPP9 (0.54) DPP9DPP8DPP7HDAC8HDAC3
SCHEMBL4779013 0.86 HDAC8 (0.60) DPP9DPP8DPP4DPP7HDAC8
SCHEMBL4779003 0.86 HDAC8 (0.60) DPP9DPP8DPP4DPP7HDAC8
SCHEMBL4775592 0.79 HDAC8 (0.49) HDAC8HDAC3HDAC1HDAC2HDAC6
SCHEMBL4909738 0.79 HDAC8 (0.49) HDAC8HDAC3HDAC1HDAC2HDAC6
SCHEMBL4771095 0.78 HDAC8 (0.61) DPP9DPP8DPP4DPP7HDAC8
SCHEMBL4771004 0.77 SMN1; SMN2 (0.50) DPP4
SCHEMBL21746978 0.76 DPP9 (1.00) DPP9DPP8DPP4DPP7PITRM1

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
US-20080255149-A1 Carboxyamine Compounds and Methods of Use Thereof NOVARTIS AG 2008-10-16 US 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 DPP9 848/4885DPP8 1164/4885DPP4 616/4885

“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.