SCHEMBL5658025

SCHEMBL5658025

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

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
GAA P10253 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
DPP4 P27487 2/20 0.33
CYP3A4 P08684 1/20 0.33
KDM2B Q8NHM5 1/20 0.32
TEAD1 P28347 1/20 0.32
MCHR1 Q99705 3/20 0.32
DPEP1 P16444 1/20 0.32
HSD11B1 P28845 1/20 0.32
SLC6A4 P31645 1/20 0.32
MGLL Q99685 1/20 0.32
MTNR1B P49286 1/20 0.31
POLB P06746 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ADRB2 P07550 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
SCHEMBL5659385 0.90 CTSS (0.34) MEN1KMT2ADPP4CYP3A4HSD11B1
SCHEMBL5659365 0.89 RECQL (0.34) KMT2AALDH1A1
SCHEMBL5658113 0.88 DPP4 (0.32) GAADPP4POLBALDH1A1
SCHEMBL5659715 0.86 MEN1 (0.39) MEN1HPGDTSHRKMT2AGAA
SCHEMBL5658863 0.84 ALDH1A1 (0.35) MEN1KMT2APOLBALDH1A1
SCHEMBL5658281 0.79 ALDH1A1 (0.42) HPGDPOLBALDH1A1
SCHEMBL5658745 0.79
SCHEMBL5659018 0.79 ALDH1A1 (0.36) MEN1HPGDKMT2APOLBALDH1A1
SCHEMBL5658076 0.77
SCHEMBL5659416 0.76 POLB (0.37) MEN1KMT2ADPP4HSD11B1POLB

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 MEN1 2084/4885HPGD 359/4885TSHR 230/4885

“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.