SCHEMBL5655978

SCHEMBL5655978

O=CN(O)C(CC(=O)N1CCCN1C(=O)c1ccncc1)CC1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.38
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 3/20 0.35
KMT2A Q03164 2/20 0.33
CTSL P07711 1/20 0.33
CTSS P25774 1/20 0.33
DPP4 P27487 2/20 0.33
MAPT P10636 1/20 0.32
MAPK1 P28482 2/20 0.32
POLB P06746 2/20 0.32
GAA P10253 2/20 0.32
TSHR P16473 1/20 0.31
CCR5 P51681 1/20 0.31
EPHX1 P07099 1/20 0.31
EPHX2 P34913 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31
DPP7 Q9UHL4 1/20 0.31

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 0.89 DPP4 (0.42) KDM4EALDH1A1CTSLCTSSDPP4
SCHEMBL5659925 0.88 ALDH1A1 (0.48) KDM4EALDH1A1KMT2ADPP4POLB
SCHEMBL5659416 0.88 POLB (0.37) KDM4EALDH1A1KMT2ACTSLCTSS
SCHEMBL5659715 0.87 MEN1 (0.39) KMT2ADPP4POLBGAATSHR
SCHEMBL5659365 0.86 RECQL (0.34) RECQLKDM4EALDH1A1KMT2ACTSL
SCHEMBL5656723 0.85 GRM3 (0.42) ALDH1A1POLBGAAEPHX2
SCHEMBL5657247 0.84 ALDH1A1 (0.35) ALDH1A1KMT2ACTSLCTSSDPP4
SCHEMBL5657935 0.80 DPP4 (0.33) DPP4
SCHEMBL5655746 0.79 ALDH1A1 (0.46) KDM4EALDH1A1MAPTPOLB
SCHEMBL5656031 0.79 ALDH1A1 (0.41) KDM4EALDH1A1CTSSPOLBEPHX2

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 RECQL 1423/4885KDM4E 3254/4885ALDH1A1 802/4885

“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.