SCHEMBL5655746

SCHEMBL5655746

O=CN(O)C(CC(=O)N1CCCN1C(=O)c1ccc(N2CCOCC2)nc1)CC1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
HPGD P15428 3/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ADRA1A P35348 3/20 0.42
HPGDS O60760 1/20 0.39
USP30 Q70CQ3 1/20 0.37
PRMT5 O14744 2/20 0.37
MAPT P10636 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
STAT3 P40763 1/20 0.34
KCNQ3 O43525 1/20 0.34
KCNQ2 O43526 1/20 0.34
DRD2 P14416 1/20 0.34

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
SCHEMBL5658281 0.88 ALDH1A1 (0.42) ALDH1A1HPGDKDM4EPOLBALOX15
SCHEMBL5655744 0.82 ALDH1A1 (0.46) ALDH1A1HPGDKDM4EPOLBALOX15
SCHEMBL5658278 0.81 ALDH1A1 (0.48) ALDH1A1HPGDKDM4EPOLBALOX15
SCHEMBL5659925 0.79 ALDH1A1 (0.48) ALDH1A1HPGDKDM4EPOLBHSD17B10
SCHEMBL5655978 0.79 RECQL (0.38) ALDH1A1KDM4EPOLBMAPT
SCHEMBL5659416 0.79 POLB (0.37) ALDH1A1KDM4EPOLBDRD2HTR2A
SCHEMBL5660846 0.79 DPP4 (0.42) ALDH1A1KDM4EPOLB
SCHEMBL5657247 0.78 ALDH1A1 (0.35) ALDH1A1POLB
SCHEMBL5656723 0.77 GRM3 (0.42) ALDH1A1HPGDPOLBSMN1; SMN2LMNA
SCHEMBL5659715 0.77 MEN1 (0.39) HPGDPOLB

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 802/4885HPGD 359/4885KDM4E 3254/4885

“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.