SCHEMBL5657247

SCHEMBL5657247

O=CN(O)C(CC(=O)N1CCCN1C(=O)c1ccoc1)CC1CCCC1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
CTSL P07711 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
OPRM1 P35372 2/20 0.32
OPRD1 P41143 2/20 0.32
OPRK1 P41145 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
CCR5 P51681 1/20 0.31
DPP4 P27487 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 0.86 DPP4 (0.42) ALDH1A1POLBCTSLCTSSCTSK
SCHEMBL5658863 0.86 ALDH1A1 (0.35) ALDH1A1MEN1POLBKMT2ANPC1
SCHEMBL5655978 0.84 RECQL (0.38) ALDH1A1POLBKMT2ACTSLCTSS
SCHEMBL5659416 0.84 POLB (0.37) ALDH1A1MEN1POLBKMT2ACTSL
SCHEMBL5656723 0.82 GRM3 (0.42) ALDH1A1POLB
SCHEMBL5659715 0.82 MEN1 (0.39) MEN1POLBKMT2ADPP4
SCHEMBL5659925 0.81 ALDH1A1 (0.48) ALDH1A1MEN1POLBKMT2ADPP4
SCHEMBL5657244 0.80
SCHEMBL5657935 0.79 DPP4 (0.33) DPP4
SCHEMBL5655746 0.78 ALDH1A1 (0.46) ALDH1A1POLB

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 802/4885MEN1 2084/4885POLB 3054/4885

“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.