SCHEMBL6431374

SCHEMBL6431374

NCCC[N]C(=O)C(CCCN)NCCCN

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GGT1 P19440 1/20 0.34
FOLH1 Q04609 1/20 0.33
CPB2 Q96IY4 1/20 0.32
SIRT6 Q8N6T7 1/20 0.31
SIRT1 Q96EB6 1/20 0.31
NOS1 P29475 1/20 0.31
PAOX Q6QHF9 1/20 0.30

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
SCHEMBL6431706 1.00 GGT1 (0.34) GGT1FOLH1CPB2SIRT6SIRT1
SCHEMBL146727 0.77 GGT1 (0.55) GGT1FOLH1CPB2
SCHEMBL6890284 0.77 GGT1 (0.55) GGT1FOLH1CPB2
SCHEMBL27482919 0.74 SIRT6 (0.49) GGT1FOLH1CPB2SIRT6SIRT1
SCHEMBL27481855 0.74 SIRT6 (0.49) GGT1FOLH1CPB2SIRT6SIRT1
SCHEMBL6431464 0.73 GSR (0.47) CPB2NOS1
SCHEMBL6862207 0.73 GSR (0.47) CPB2NOS1
SCHEMBL5499164 0.73 GSR (0.47) CPB2NOS1
SCHEMBL6316197 0.72 FOLH1 (0.54) GGT1FOLH1CPB2SIRT6SIRT1
SCHEMBL6859366 0.72 FOLH1 (0.54) GGT1FOLH1CPB2SIRT6SIRT1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1254161-B1 AEROTHRICIN ANALOGS, THEIR PREPARATION AND USE BASILEA PHARMACEUTICA AG (CH) 2005-04-20 EP claimed
US-6849709-B2 Aerothricin derivatives BASILEA PHARMACEUTICA AG (CH) 2005-02-01 US claimed
EP-1254161-A2 AEROTHRICIN ANALOGS, THEIR PREPARATION AND USE Basilea Pharmaceutica AG (CH) 2002-11-06 EP claimed
US-20010031728-A1 Aerothricin derivatives F. HOFFMANN-LA ROCHE AG A SWISS COMPANY (CH) 2001-10-18 US claimed
WO-2001053322-A2 AEROTHRICIN ANALOGS, THEIR PREPARATION AND USE BASILEA PHARMACEUTICA AG (CH) 2001-07-26 WO claimed
EP-1254161-B1 AEROTHRICIN ANALOGS, THEIR PREPARATION AND USE BASILEA PHARMACEUTICA AG (CH) 2005-04-20 EP disclosed
US-6849709-B2 Aerothricin derivatives BASILEA PHARMACEUTICA AG (CH) 2005-02-01 US disclosed
EP-1254161-A2 AEROTHRICIN ANALOGS, THEIR PREPARATION AND USE Basilea Pharmaceutica AG (CH) 2002-11-06 EP disclosed
US-20010031728-A1 Aerothricin derivatives F. HOFFMANN-LA ROCHE AG A SWISS COMPANY (CH) 2001-10-18 US disclosed
WO-2001053322-A2 AEROTHRICIN ANALOGS, THEIR PREPARATION AND USE BASILEA PHARMACEUTICA AG (CH) 2001-07-26 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-20010031728-A1 Aerothricin derivatives CIAPIN1, CYP27A1, CYP46A1 GGT1 1468/4885FOLH1 1448/4885CPB2 2101/4885

“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.