SCHEMBL5658863

SCHEMBL5658863

O=CN(O)C(CC(=O)N1C=CCCN1C(=O)c1ccoc1)CC1CCCC1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 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
SCHEMBL5658113 0.88 DPP4 (0.32) ALDH1A1POLB
SCHEMBL5659385 0.86 CTSS (0.34) ALDH1A1MEN1POLBKMT2ANPC1
SCHEMBL5659365 0.86 RECQL (0.34) ALDH1A1KMT2A
SCHEMBL5657247 0.86 ALDH1A1 (0.35) ALDH1A1MEN1POLBKMT2ANPC1
SCHEMBL5658025 0.84 MEN1 (0.34) ALDH1A1MEN1POLBKMT2A
SCHEMBL5658281 0.81 ALDH1A1 (0.42) ALDH1A1POLB
SCHEMBL5658745 0.80
SCHEMBL5659018 0.80 ALDH1A1 (0.36) ALDH1A1MEN1POLBKMT2A
SCHEMBL5658076 0.79
SCHEMBL5655656 0.76 KCNH2 (0.41) ALDH1A1MEN1POLBKMT2ARAB9A

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.