SCHEMBL4776687

SCHEMBL4776687

COC(=O)C=Cc1ccc(C[C@@H](N)C(=O)N2Cc3ccccc3C2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 9/20 0.62
HPGD P15428 2/20 0.47
HTT P42858 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
DPP8 Q6V1X1 7/20 0.44
DPP7 Q9UHL4 6/20 0.44
DPP9 Q86TI2 4/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
TYR P14679 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 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
SCHEMBL4776677 1.00 HDAC8 (0.62) HDAC8HPGDHTTCYP1A2CYP2C9
SCHEMBL4776682 1.00 HDAC8 (0.62) HDAC8HPGDHTTCYP1A2CYP2C9
SCHEMBL4910478 0.86 HDAC8 (0.71) HDAC8HPGDHTTCYP1A2CYP2C9
SCHEMBL4910482 0.86 HDAC8 (0.71) HDAC8HPGDHTTCYP1A2CYP2C9
SCHEMBL4779192 0.86 HDAC8 (0.71) HDAC8HPGDHTTCYP1A2CYP2C9
SCHEMBL4909537 0.81 HDAC8 (0.50) HDAC8HDAC3HDAC1HDAC2HDAC6
SCHEMBL4909531 0.81 HDAC8 (0.50) HDAC8HDAC3HDAC1HDAC2HDAC6
SCHEMBL4774492 0.81 HDAC8 (0.50) HDAC8HDAC3HDAC1HDAC2HDAC6
SCHEMBL4909773 0.78 HDAC8 (0.66) HDAC8HDAC3HDAC1HDAC2HDAC6
SCHEMBL4778373 0.78 HDAC8 (0.66) 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 5 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
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 16/4885HPGD 852/4885HTT 171/4885

“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.