SCHEMBL4778243

SCHEMBL4778243

COc1cccc(-c2ccc3c(c2)CN(C(=O)[C@H](N)Cc2ccc(Cl)cc2Cl)C3)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 13/20 0.66
HDAC1 Q13547 3/20 0.66
HDAC3 O15379 1/20 0.66
HDAC2 Q92769 1/20 0.66
HDAC6 Q9UBN7 1/20 0.66
HSD17B3 P37058 1/20 0.51
TMEM97 Q5BJF2 3/20 0.46
SIGMAR1 Q99720 3/20 0.46
HTR1A P08908 2/20 0.46
DRD4 P21917 2/20 0.46
HTR2C P28335 2/20 0.46
HTR2B P41595 2/20 0.46
SLC6A3 Q01959 2/20 0.46
ADRA2A P08913 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
OPRK1 P41145 1/20 0.46
HTR5A P47898 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
SCHEMBL4910528 1.00 HDAC8 (0.66) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL4794049 0.91 HDAC8 (0.65) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL4779246 0.89 HDAC8 (0.76) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL4910409 0.89 HDAC8 (0.76) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL4791538 0.88 HDAC8 (0.76) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL4771048 0.88 HDAC8 (0.76) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL4777092 0.87 HDAC8 (0.79) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL4777101 0.87 HDAC8 (0.79) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL4773366 0.85 HDAC8 (0.74) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL4773359 0.85 HDAC8 (0.74) HDAC8HDAC1HDAC3HDAC2HDAC6

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 4 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
US-20080255149-A1 Carboxyamine Compounds and Methods of Use Thereof NOVARTIS AG 2008-10-16 US 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.