SCHEMBL6409810

SCHEMBL6409810

COc1ccc2c(c1)NCCCC2=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.48
KDM4E B2RXH2 1/20 0.48
KDR P35968 2/20 0.46
PARP1 P09874 1/20 0.46
CDK1 P06493 1/20 0.45
MAPKAPK2 P49137 1/20 0.45
PDE3B Q13370 2/20 0.44
PDE3A Q14432 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
ALOX12 P18054 1/20 0.44
CASP1 P29466 1/20 0.44
MPI P34949 1/20 0.44
CASP7 P55210 1/20 0.44

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
SCHEMBL30718037 0.90 ALDH1A1 (0.54) HTTKDM4EKDRPDE3BPDE3A
SCHEMBL643543 0.90 ALDH1A1 (0.54) HTTKDM4EKDRPDE3BPDE3A
SCHEMBL4792028 0.81 METAP1 (0.43) HTTKDM4EKDRPARP1CDK1
SCHEMBL15756851 0.80 PDE3B (0.54) HTTKDM4EKDRCDK1PDE3B
SCHEMBL5758982 0.78 PDE3B (0.58) HTTKDM4EPDE3BPDE3AALDH1A1
SCHEMBL30471897 0.77 HRH3 (0.52) KDRPARP1CDK1MAPKAPK2PDE3B
SCHEMBL1395133 0.77 HRH3 (0.52) KDRPARP1CDK1MAPKAPK2PDE3B
SCHEMBL23766349 0.76 PDE3B (0.47) HTTKDM4EKDRCDK1PDE3B
SCHEMBL2254756 0.76 PDE3B (0.56) HTTKDM4EKDRCDK1PDE3B
SCHEMBL29783338 0.76 PDE3B (0.56) HTTKDM4EKDRCDK1PDE3B

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
US-11850287-B2 Heterocyclic acyl hydrazone linkers, methods and uses thereof ONTARIO INSTITUTE FOR CANCER SEARCH (OICR) (CA) 2023-12-26 US disclosed
US-20210106694-A1 HETEROCYCLIC ACYL HYDRAZONE LINKERS, METHODS AND USES THEREOF ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2021-04-15 US disclosed
US-20210106694-A1 HETEROCYCLIC ACYL HYDRAZONE LINKERS, METHODS AND USES THEREOF ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2021-04-15 US disclosed
EP-3728273-A1 HETEROCYCLIC ACYL HYDRAZONE LINKERS, METHODS AND USES THEREOF Ontario Institute for Cancer Research (OICR) (CA) 2020-10-28 EP disclosed
US-20050234041-A1 Substituted 1-benzazepines and derivatives thereof BIOPORT R&D, INC. 2005-10-20 US disclosed
US-6514965-B1 For treating bacterial infections ANTEX PHARMA INC. 2003-02-04 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 (3 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-20210106694-A1 HETEROCYCLIC ACYL HYDRAZONE LINKERS, METHODS AND USES THEREOF HDAC6, C9, AADAC HTT 1365/4885KDM4E 1071/4885KDR 2720/4885
US-20050234041-A1 Substituted 1-benzazepines and derivatives thereof BAK1, BAD, BAX HTT 3237/4885KDM4E 278/4885KDR 3033/4885
US-11850287-B2 Heterocyclic acyl hydrazone linkers, methods and uses thereof HDAC6, C9, AADAC HTT 1365/4885KDM4E 1071/4885KDR 2720/4885

“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.