SCHEMBL5659385

SCHEMBL5659385

O=CN(O)C(CC(=O)N1C=CCCN1C(=O)c1ccc(F)cc1)CC1CCCC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.34
POLB P06746 1/20 0.33
KMT2A Q03164 3/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ATM Q13315 1/20 0.32
CTSL P07711 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
EPHX2 P34913 1/20 0.31
DRD2 P14416 2/20 0.31
HTR2A P28223 2/20 0.31
HTR2C P28335 2/20 0.31
HTR2B P41595 2/20 0.31
SIGMAR1 Q99720 2/20 0.31
HSD11B1 P28845 1/20 0.31
CYP3A4 P08684 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
SCHEMBL5658113 0.91 DPP4 (0.32) POLBATMKDM4EALDH1A1DPP4
SCHEMBL5658025 0.90 MEN1 (0.34) POLBKMT2AMEN1ALDH1A1HSD11B1
SCHEMBL5659365 0.89 RECQL (0.34) CTSSKMT2ACTSLKDM4EALDH1A1
SCHEMBL5658863 0.86 ALDH1A1 (0.35) POLBKMT2ANPC1RAB9AMEN1
SCHEMBL5659416 0.86 POLB (0.37) CTSSPOLBKMT2ANPC1RAB9A
SCHEMBL5658281 0.81 ALDH1A1 (0.42) POLBKDM4EALDH1A1DRD2HTR2A
SCHEMBL5658745 0.81
SCHEMBL5659018 0.81 ALDH1A1 (0.36) CTSSPOLBKMT2AATML3MBTL1
SCHEMBL5658076 0.79
SCHEMBL5660846 0.76 DPP4 (0.42) CTSSPOLBCTSLKDM4EALDH1A1

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 CTSS 635/4885POLB 3054/4885KMT2A 2272/4885

“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.