SCHEMBL4775840

SCHEMBL4775840

NC(Cc1ccc(Br)s1)C(=O)N1CCN(C(=O)c2cc(Cl)ccc2C(F)(F)F)CC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 5/20 0.45
EPHX2 P34913 5/20 0.43
MC4R P32245 4/20 0.41
SCD O00767 1/20 0.41
AKT1 P31749 2/20 0.38
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
TSHR P16473 1/20 0.36
AKT2 P31751 1/20 0.36
AKT3 Q9Y243 1/20 0.36
MGLL Q99685 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 0.90 HDAC8 (0.48) HDAC8EPHX2SCDTSHR
SCHEMBL4904798 0.85 HDAC8 (0.48) HDAC8MC4RSCDTSHRMGLL
SCHEMBL4773213 0.83 HDAC8 (0.51) HDAC8MC4RSCDAKT1HDAC3
SCHEMBL4909803 0.83 MC4R (0.56) HDAC8EPHX2MC4RAKT1HDAC3
SCHEMBL4773293 0.82 HDAC8 (0.51) HDAC8MC4RSCDAKT1HDAC3
SCHEMBL4775830 0.81 HDAC8 (0.68) HDAC8MC4RSCDAKT1TSHR
SCHEMBL4771095 0.79 HDAC8 (0.61) HDAC8AKT1
SCHEMBL4778449 0.78 HDAC8 (0.57) HDAC8EPHX2MC4RAKT1HDAC3
SCHEMBL4777046 0.78 HDAC8 (0.60) HDAC8EPHX2MC4RSCDAKT1
SCHEMBL4778429 0.76 USP2 (0.49) MC4RTSHR

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 16/4885EPHX2 1332/4885MC4R 1782/4885

“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.