SCHEMBL4777079

SCHEMBL4777079

NC(Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(Cc2ccc(-c3ccncc3)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LSS P48449 3/20 0.56
HDAC8 Q9BY41 7/20 0.53
HDAC3 O15379 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
AKT1 P31749 2/20 0.52
AKT2 P31751 1/20 0.52
AKT3 Q9Y243 1/20 0.52
F10 P00742 4/20 0.50
MC4R P32245 2/20 0.49
EPHX2 P34913 1/20 0.47
TACR3 P29371 1/20 0.46

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
SCHEMBL4779266 0.94 HDAC8 (0.57) HDAC8HDAC3HDAC1HDAC2HDAC6
SCHEMBL4778376 0.90 AKT1 (0.52) LSSHDAC8HDAC3HDAC1HDAC2
SCHEMBL4779221 0.86 HDAC8 (0.56) HDAC8HDAC3HDAC1HDAC2HDAC6
SCHEMBL4774648 0.85 HDAC8 (0.57) HDAC8HDAC3HDAC1HDAC2HDAC6
SCHEMBL4772776 0.85 HDAC8 (0.57) HDAC8HDAC3HDAC1HDAC2HDAC6
SCHEMBL4791202 0.85 HDAC8 (0.57) HDAC8HDAC3HDAC1HDAC2HDAC6
SCHEMBL4776511 0.83 HDAC8 (0.53) HDAC8HDAC3HDAC1HDAC2HDAC6
SCHEMBL4770297 0.83 HDAC8 (0.54) HDAC8HDAC3HDAC1HDAC2HDAC6
SCHEMBL4902788 0.82 HDAC8 (0.56) HDAC8HDAC3HDAC1HDAC2HDAC6
SCHEMBL4778422 0.80 HDAC8 (0.59) HDAC8HDAC3HDAC1HDAC2HDAC6

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 LSS 3981/4885HDAC8 16/4885HDAC3 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.