SCHEMBL5655656

SCHEMBL5655656

O=CN(O)C(CC(=O)N1C=CCCN1C(=O)N1CCC(Cc2ccccc2)CC1)CC1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
GAA P10253 2/20 0.37
LMNA P02545 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPK14 Q16539 1/20 0.37
TACR3 P29371 1/20 0.37
ALDH1A1 P00352 2/20 0.37
FAAH O00519 2/20 0.36
MGLL Q99685 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 2/20 0.36
RAB9A P51151 1/20 0.36
RECQL P46063 1/20 0.36
LIPE Q05469 1/20 0.36

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
SCHEMBL5659018 0.86 ALDH1A1 (0.36) TACR3ALDH1A1MEN1KMT2APOLB
SCHEMBL5658113 0.83 DPP4 (0.32) GAAALDH1A1POLB
SCHEMBL5658745 0.78
SCHEMBL5659365 0.77 RECQL (0.34) ALDH1A1KMT2ARECQL
SCHEMBL5659385 0.77 CTSS (0.34) ALDH1A1MEN1KMT2APOLBRAB9A
SCHEMBL5658076 0.76
SCHEMBL5658863 0.76 ALDH1A1 (0.35) ALDH1A1MEN1KMT2APOLBRAB9A
SCHEMBL5658025 0.75 MEN1 (0.34) GAAALDH1A1MGLLMEN1KMT2A
SCHEMBL5656031 0.74 ALDH1A1 (0.41) TACR3ALDH1A1POLBRAB9A
SCHEMBL5655653 0.71 HRH3 (0.45) KCNH2HRH3GAALMNALIPE

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 KCNH2 617/4885HRH3 5/4885GAA 3212/4885

“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.