SCHEMBL5659925

SCHEMBL5659925

O=CN(O)C(CC(=O)N1CCCN1C(=O)c1cccnc1)CC1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.48
GAA P10253 1/20 0.37
DPP4 P27487 2/20 0.37
PREP P48147 1/20 0.37
FAP Q12884 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
HTT P42858 1/20 0.36
POLB P06746 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 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
SCHEMBL5655978 0.88 RECQL (0.38) ALDH1A1GAADPP4DPP8DPP9
SCHEMBL5660846 0.88 DPP4 (0.42) ALDH1A1DPP4DPP8DPP9POLB
SCHEMBL5659416 0.82 POLB (0.37) ALDH1A1DPP4DPP8DPP9POLB
SCHEMBL5657247 0.81 ALDH1A1 (0.35) ALDH1A1DPP4POLBMEN1KMT2A
SCHEMBL5659922 0.80 ALDH1A1 (0.47) ALDH1A1
SCHEMBL5656723 0.80 GRM3 (0.42) ALDH1A1GAAPOLBHPGDLMNA
SCHEMBL5655746 0.79 ALDH1A1 (0.46) ALDH1A1HTTPOLBHSD17B10KDM4E
SCHEMBL5657935 0.77 DPP4 (0.33) DPP4
SCHEMBL5658572 0.76 ALDH1A1 (0.33) ALDH1A1DPP4LMNA
SCHEMBL5657118 0.75 DPP4 (0.45) ALDH1A1GAADPP4KDM4E

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 802/4885GAA 3212/4885DPP4 3934/4885

“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.