SCHEMBL5656031

SCHEMBL5656031

O=CN(O)C(CC(=O)N1CCCN1C(=O)Cc1ccccc1)CC1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 2/20 0.41
TACR3 P29371 1/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
ATM Q13315 1/20 0.36
CTSS P25774 3/20 0.35

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
SCHEMBL5660846 0.87 DPP4 (0.42) ALDH1A1KDM4EPOLBHDAC3HDAC4
SCHEMBL5659018 0.86 ALDH1A1 (0.36) ALDH1A1KDM4ETACR3POLBL3MBTL1
SCHEMBL5657118 0.84 DPP4 (0.45) ALDH1A1KDM4EHDAC3HDAC4HDAC1
SCHEMBL5657935 0.84 DPP4 (0.33)
SCHEMBL5656028 0.80
SCHEMBL5655978 0.79 RECQL (0.38) ALDH1A1KDM4EPOLBCTSSEPHX2
SCHEMBL5659416 0.79 POLB (0.37) ALDH1A1KDM4EPOLBL3MBTL1ATM
SCHEMBL5658572 0.78 ALDH1A1 (0.33) ALDH1A1SIGMAR1
SCHEMBL5657247 0.78 ALDH1A1 (0.35) ALDH1A1POLBCTSSNPC1RAB9A
SCHEMBL5659015 0.78

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
US-7192953-B2 Antibacterial agents VERNALIS (OXFORD) LIMITED (GB) 2007-03-20 US disclosed
US-20060128811-A1 Hydroxamic acid- and N-formyl hydroxylamine hydrazide derivatives; veterinary medicine VERNALIS (OXFORD) LIMITED (GB) 2006-06-15 US disclosed
EP-1567504-A1 ANTIBACTERIAL AGENTS Vernalis (Oxford) Ltd (GB) 2005-08-31 EP disclosed
WO-2004050638-A1 ANTIBACTERIAL AGENTS VERNALIS (OXFORD) LTD. (GB) 2004-06-17 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-20060128811-A1 Hydroxamic acid- and N-formyl hydroxylamine hydrazide derivatives; veterinary medicine HRH2, HCAR3, HCAR2 ALDH1A1 802/4885KDM4E 3254/4885TACR3 746/4885

“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.