SCHEMBL4775830

SCHEMBL4775830

NC(Cc1cccc(Cl)c1)C(=O)N1CCN(C(=O)c2cc(Cl)ccc2C(F)(F)F)CC1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.68
AKT1 P31749 7/20 0.51
AKT2 P31751 2/20 0.51
AKT3 Q9Y243 2/20 0.51
MC4R P32245 3/20 0.47
DPP4 P27487 2/20 0.45
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
SCD O00767 1/20 0.43
KMT2A Q03164 1/20 0.40
MGLL Q99685 1/20 0.40
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
AKT1S1 Q96B36 1/20 0.40

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
SCHEMBL4905417 0.93 HDAC8 (0.80) HDAC8AKT1AKT2AKT3MC4R
SCHEMBL4777046 0.93 HDAC8 (0.60) HDAC8AKT1AKT2AKT3MC4R
SCHEMBL4905399 0.93 HDAC8 (0.80) HDAC8AKT1AKT2AKT3MC4R
SCHEMBL4773213 0.87 HDAC8 (0.51) HDAC8AKT1AKT2AKT3MC4R
SCHEMBL4773293 0.85 HDAC8 (0.51) HDAC8AKT1AKT2AKT3MC4R
SCHEMBL4909803 0.84 MC4R (0.56) HDAC8AKT1AKT2AKT3MC4R
SCHEMBL4904798 0.84 HDAC8 (0.48) HDAC8MC4RDPP4KDM4EALDH1A1
SCHEMBL4794738 0.82 HDAC8 (0.63) HDAC8AKT1AKT2AKT3MC4R
SCHEMBL4909543 0.81 HDAC8 (1.00) HDAC8AKT1AKT2AKT3DPP4
SCHEMBL17549802 0.81 HDAC8 (1.00) HDAC8AKT1AKT2AKT3DPP4

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 16/4885AKT1 3114/4885AKT2 2960/4885

“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.