SCHEMBL4776990

SCHEMBL4776990

NC(Cc1cccc(Cl)c1)C(=O)N1CCN(C(=O)c2ccccc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.68
AKT1 P31749 2/20 0.59
AKT2 P31751 1/20 0.59
AKT3 Q9Y243 1/20 0.59
CHRM2 P08172 1/20 0.56
CHRM3 P20309 1/20 0.56
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
LMNA P02545 3/20 0.51
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ALDH1A1 P00352 2/20 0.50
ADRB2 P07550 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
POLB P06746 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49

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
SCHEMBL4777024 0.86 CHRM2 (0.56) HDAC8CHRM2CHRM3MEN1KMT2A
SCHEMBL25222625 0.85 HDAC8 (0.67) HDAC8AKT1AKT2AKT3LMNA
Hydrochloric Acid SCHEMBL25271343 0.84 HDAC8 (0.65) HDAC8AKT1AKT2AKT3LMNA
Hydrochloric Acid SCHEMBL25224933 0.84 HDAC8 (0.65) HDAC8AKT1AKT2AKT3LMNA
SCHEMBL4776988 0.84 HDAC8 (0.60) HDAC8AKT1AKT2AKT3KMT2A
SCHEMBL4773146 0.83 HDAC8 (0.62) HDAC8AKT1AKT2AKT3L3MBTL1
SCHEMBL4779318 0.83 AKT1 (0.64) HDAC8AKT1AKT2AKT3MEN1
SCHEMBL4779245 0.83 SIGMAR1 (0.55) HDAC8AKT1AKT2AKT3MEN1
SCHEMBL4795016 0.82 HDAC8 (0.67) HDAC8AKT1AKT2AKT3
SCHEMBL8280943 0.81 CHRM2 (0.54) HDAC8CHRM2CHRM3MEN1KMT2A

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.