SCHEMBL4872511

SCHEMBL4872511

NC(Cc1cc2ccccc2[nH]1)C(=O)N1Cc2ccccc2C1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.66
HDAC8 Q9BY41 9/20 0.61
HDAC3 O15379 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
NLN Q9BYT8 1/20 0.50
DPP8 Q6V1X1 5/20 0.49
DPP7 Q9UHL4 4/20 0.49
DPP9 Q86TI2 3/20 0.49
RAD52 P43351 1/20 0.45
UBE2N P61088 1/20 0.45

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
SCHEMBL4770838 0.85 DPP4 (0.51) DPP4HDAC8HDAC3HDAC1HDAC2
SCHEMBL2700469 0.78 ALPI (0.54) DPP4
SCHEMBL29440959 0.78 ALPI (0.54) DPP4
SCHEMBL45382 0.78 ALPI (0.54) DPP4
SCHEMBL4393088 0.78 ALPI (0.54) DPP4
SCHEMBL29574121 0.78 ALPI (0.54) DPP4
SCHEMBL12936626 0.77 MTNR1A (0.54) DPP4
SCHEMBL5295968 0.77 TSHR (0.53) DPP4RAD52UBE2N
SCHEMBL5295982 0.77 TSHR (0.53) DPP4RAD52UBE2N
SCHEMBL8242087 0.77 HDAC8 (1.00) DPP4HDAC8HDAC3HDAC1HDAC2

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 DPP4 616/4885HDAC8 16/4885HDAC3 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.