SCHEMBL5656723

SCHEMBL5656723

COc1ccc(C(=O)N2CCCN2C(=O)CC(CC2CCCC2)N(O)C=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM3 Q14832 4/20 0.42
HPGD P15428 2/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 3/20 0.39
LMNA P02545 1/20 0.39
HIF1A Q16665 1/20 0.39
GAA P10253 1/20 0.38
EPHX2 P34913 2/20 0.37
CNR2 P34972 1/20 0.37

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
SCHEMBL5659416 0.87 POLB (0.37) ALDH1A1POLBEPHX2
SCHEMBL5660846 0.87 DPP4 (0.42) ALDH1A1POLBCNR2
SCHEMBL5656407 0.86 GRM3 (0.38) GRM3HPGDALDH1A1SMN1; SMN2POLB
SCHEMBL5655978 0.85 RECQL (0.38) ALDH1A1POLBGAAEPHX2
SCHEMBL5659715 0.84 MEN1 (0.39) HPGDPOLBGAA
SCHEMBL5657247 0.82 ALDH1A1 (0.35) ALDH1A1POLB
SCHEMBL5659314 0.80 CTSK (0.31)
SCHEMBL5659925 0.80 ALDH1A1 (0.48) HPGDALDH1A1POLBLMNAGAA
SCHEMBL5656721 0.80 GRM3 (0.39) GRM3
SCHEMBL5656403 0.78 HPGD (0.41) HPGD

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 GRM3 970/4885HPGD 359/4885ALDH1A1 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.