SCHEMBL4778375

SCHEMBL4778375

CN1CCN(C(=O)C(N)Cc2ccc(-c3ccc(Cl)cc3Cl)s2)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 10/20 0.47
HDAC1 Q13547 3/20 0.47
HDAC3 O15379 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
MC4R P32245 3/20 0.46
EPHX2 P34913 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
CYP3A4 P08684 2/20 0.43
UGCG Q16739 2/20 0.43
ALPL P05186 1/20 0.43
AKT1 P31749 1/20 0.42
AKT2 P31751 1/20 0.42
AKT3 Q9Y243 1/20 0.42
MCHR1 Q99705 1/20 0.41

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
SCHEMBL4773096 0.87 MC4R (0.44) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL4773483 0.86 MC4R (0.52) MC4RTSHR
SCHEMBL4776973 0.86 HDAC8 (0.47) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL4770954 0.85 HDAC8 (0.67) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL4773535 0.85 HDAC8 (0.67) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL4773474 0.85 HDAC8 (0.48) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL4772655 0.84 DPP8 (0.48) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL4773532 0.84 MC4R (0.48) HDAC1HDAC6MC4RLMNAAKT1
SCHEMBL4772770 0.84 EPHX2 (0.47) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL4775820 0.83 EPHX2 (0.46) MC4REPHX2LMNA

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 16/4885HDAC1 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.