SCHEMBL5658572

SCHEMBL5658572

O=CN(O)C(CC(=O)N1CCCN1C(=O)C1CCCCC1)CC1CCCC1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
DPP4 P27487 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
TP53 P04637 1/20 0.32
LMNA P02545 1/20 0.31
HSD11B1 P28845 1/20 0.31
SIGMAR1 Q99720 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
SCHEMBL5657935 0.86 DPP4 (0.33) DPP4
SCHEMBL5658745 0.82
SCHEMBL5659314 0.82 CTSK (0.31) DPP4
SCHEMBL5657978 0.79 CTSK (0.42) ALDH1A1SMN1; SMN2
SCHEMBL5656031 0.78 ALDH1A1 (0.41) ALDH1A1SIGMAR1
SCHEMBL5660846 0.78 DPP4 (0.42) ALDH1A1DPP4
SCHEMBL5659416 0.77 POLB (0.37) ALDH1A1DPP4HSD11B1SIGMAR1
SCHEMBL5655978 0.77 RECQL (0.38) ALDH1A1TSHRDPP4
SCHEMBL5657118 0.76 DPP4 (0.45) ALDH1A1TSHRDPP4SMN1; SMN2TP53
SCHEMBL5657247 0.76 ALDH1A1 (0.35) ALDH1A1DPP4

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 802/4885TSHR 230/4885DPP4 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.