SCHEMBL833494

SCHEMBL833494

CCN(CC)CCNc1ccc(C=CC(=O)OC)cc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 5/20 0.47
TOP2A P11388 3/20 0.45
TTR P02766 1/20 0.45
APP P05067 1/20 0.45
PTPN1 P18031 1/20 0.43
ACHE P22303 4/20 0.43
BCHE P06276 2/20 0.43
FDPS P14324 1/20 0.43
EPHX2 P34913 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
TYR P14679 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
JAK2 O60674 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL833493 1.00 HDAC6 (0.47) HDAC6TOP2ATTRAPPPTPN1
SCHEMBL29674921 0.82 HDAC6 (0.51) HDAC6TOP2AKDM4EALDH1A1MAPT
SCHEMBL831430 0.82 HDAC6 (0.51) HDAC6TOP2AKDM4EALDH1A1MAPT
SCHEMBL831429 0.82 HDAC6 (0.51) HDAC6TOP2AKDM4EALDH1A1MAPT
SCHEMBL842123 0.79 HDAC6 (0.59) HDAC6TOP2ATTRAPPACHE
SCHEMBL2377159 0.78 HDAC6 (0.76) HDAC6TTRAPPPTPN1ACHE
SCHEMBL2377156 0.78 HDAC6 (0.76) HDAC6TTRAPPPTPN1ACHE
SCHEMBL972204 0.77 APP (0.56) TTRAPPPTPN1FDPSEPHX2
SCHEMBL972206 0.77 APP (0.56) TTRAPPPTPN1FDPSEPHX2
SCHEMBL19185722 0.76 APP (0.55) TTRAPPPTPN1FDPSEPHX2

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
US-8143282-B2 Heterocyclic compounds S*BIO PTE LTD. (SG) 2012-03-27 US disclosed
EP-1937650-B1 HETEROCYCLIC COMPOUNDS S BIO PTE LTD (SG) 2011-06-15 EP disclosed
US-20090048300-A1 Heterocyclic Compounds S*BIO PTE LTD. (SG) 2009-02-19 US disclosed
EP-1937650-A1 HETEROCYCLIC COMPOUNDS S*Bio Pte Ltd (SG) 2008-07-02 EP disclosed
WO-2007030080-A1 HETEROCYCLIC COMPOUNDS S*BIO PTE LTD (SG) 2007-03-15 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-20090048300-A1 Heterocyclic Compounds HDAC1, HDAC3, HDAC11 HDAC6 10/4885TOP2A 44/4885TTR 4803/4885

“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.