SCHEMBL4908436

SCHEMBL4908436

NC(Cc1ccccc1Cl)C(=O)N1CCN(C(=O)c2cc(F)ccc2F)CC1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 5/20 0.71
MDM2 Q00987 1/20 0.51
AKT1 P31749 3/20 0.50
AKT2 P31751 2/20 0.50
AKT3 Q9Y243 2/20 0.50
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
MC4R P32245 3/20 0.45
PARP1 P09874 2/20 0.45
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL4778030 0.92 HDAC8 (0.85) HDAC8MDM2AKT1AKT2AKT3
SCHEMBL4779328 0.89 HDAC8 (0.71) HDAC8AKT1AKT2AKT3HDAC3
SCHEMBL4778400 0.88 HDAC8 (0.56) HDAC8MDM2AKT1AKT2AKT3
SCHEMBL4770799 0.85 HDAC8 (0.63) HDAC8PARP1ALDH1A1MEN1KMT2A
SCHEMBL19887507 0.83 HDAC8 (1.00) HDAC8MDM2AKT1AKT2AKT3
SCHEMBL4909543 0.83 HDAC8 (1.00) HDAC8MDM2AKT1AKT2AKT3
SCHEMBL17549802 0.83 HDAC8 (1.00) HDAC8MDM2AKT1AKT2AKT3
SCHEMBL16380911 0.82 HDAC8 (0.61) HDAC8AKT1AKT2AKT3HDAC3
SCHEMBL4778446 0.81 HDAC8 (0.60) HDAC8AKT1AKT2AKT3MC4R
SCHEMBL4773293 0.81 HDAC8 (0.51) HDAC8AKT1AKT2AKT3HDAC3

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 1 patent. 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

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 16/4885MDM2 3744/4885AKT1 3114/4885

“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.