SCHEMBL4778993

SCHEMBL4778993

N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)C(=O)N1Cc2ccccc2C1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 10/20 0.63
HDAC3 O15379 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
DPP8 Q6V1X1 2/20 0.46
ITGA4 P13612 6/20 0.44
ITGB1 P05556 2/20 0.44
DPP9 Q86TI2 1/20 0.44
DPP7 Q9UHL4 1/20 0.44
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL4779010 1.00 HDAC8 (0.63) HDAC8HDAC3HDAC1HDAC2HDAC6
SCHEMBL4778318 0.85 HDAC8 (0.76) HDAC8DPP8DPP9DPP7
SCHEMBL4778327 0.85 HDAC8 (0.76) HDAC8DPP8DPP9DPP7
SCHEMBL5719872 0.80 ITGA4 (0.50) ITGA4ITGB1MEN1ALDH1A1KMT2A
SCHEMBL1312190 0.80 ITGA4 (0.55) ITGA4ITGB1
SCHEMBL5719875 0.80 ITGA4 (0.50) ITGA4ITGB1MEN1ALDH1A1KMT2A
SCHEMBL1312192 0.80 ITGA4 (0.55) ITGA4ITGB1
SCHEMBL14037387 0.80 ITGA4 (0.55) ITGA4ITGB1
SCHEMBL4770074 0.80 HDAC8 (0.78) HDAC8HDAC3HDAC1HDAC2HDAC6
SCHEMBL4770086 0.80 HDAC8 (0.78) 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 HDAC8 16/4885HDAC3 4/4885HDAC1 12/4885

“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.