SCHEMBL5657118

SCHEMBL5657118

O=CN(O)C(CC(=O)N1CCCN1C(=O)Nc1ccccc1)CC1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.45
EPHX2 P34913 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
FAAH O00519 1/20 0.38
NAMPT P43490 2/20 0.38
EPHX1 P07099 1/20 0.38
CCKBR P32239 1/20 0.38
CNR2 P34972 2/20 0.37
NPY5R Q15761 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 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
SCHEMBL5660846 0.84 DPP4 (0.42) DPP4CNR2HDAC3HDAC4HDAC1
SCHEMBL5656031 0.84 ALDH1A1 (0.41) EPHX2NPC1RAB9AHDAC3HDAC4
SCHEMBL5657935 0.81 DPP4 (0.33) DPP4
SCHEMBL5657108 0.79
SCHEMBL5660726 0.77
SCHEMBL5655978 0.76 RECQL (0.38) DPP4EPHX2EPHX1KDM4EALDH1A1
SCHEMBL5659416 0.76 POLB (0.37) DPP4EPHX2NPC1RAB9AKDM4E
SCHEMBL5658572 0.76 ALDH1A1 (0.33) DPP4SMN1; SMN2TP53ALDH1A1TSHR
SCHEMBL5657247 0.76 ALDH1A1 (0.35) DPP4NPC1RAB9AALDH1A1
SCHEMBL5659925 0.75 ALDH1A1 (0.48) DPP4KDM4EALDH1A1GAA

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 DPP4 3934/4885EPHX2 1652/4885SMN1; SMN2 3767/4885

“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.