SCHEMBL6020161

SCHEMBL6020161

CCN(C#N)C(=O)C(Cc1ccc2ccccc2c1)NC(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSB P07858 3/20 0.44
CTSS P25774 3/20 0.44
CTSL P07711 2/20 0.44
CTSK P43235 2/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
TACR1 P25103 7/20 0.43
MAPT P10636 1/20 0.42
PIN1 Q13526 3/20 0.40
HPGD P15428 1/20 0.40
CA2 P00918 1/20 0.39
CTSD P07339 1/20 0.39
MME P08473 1/20 0.39
ACE P12821 1/20 0.39
CPA1 P15085 1/20 0.39
ACE2 Q9BYF1 1/20 0.39

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
SCHEMBL6019856 0.89 MMP9 (0.48) CTSBCTSSCTSLCTSKMMP9
SCHEMBL6021771 0.89 LMNA (0.45) CTSBCTSSCTSLCTSKCTSD
SCHEMBL6021164 0.88 CTSL (0.46) CTSBCTSSCTSLCTSKMAPT
SCHEMBL6021084 0.86 CTSS (0.50) CTSBCTSSCTSLCTSKMMP9
SCHEMBL6020865 0.85 CTSB (0.47) CTSBCTSSCTSLCTSKMMP9
SCHEMBL6443194 0.84 CTSB (0.51) CTSBCTSSCTSLCTSKMMP9
SCHEMBL6020522 0.83 CTSL (0.60) CTSBCTSSCTSLCTSKMMP9
SCHEMBL6019854 0.82 CTSL (0.66) CTSBCTSSCTSLCTSK
SCHEMBL6019566 0.82 CTSD (0.44) MAPTCTSD
SCHEMBL6020173 0.81 CTSS (0.50) CTSBCTSSCTSLCTSKMMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060252813-A1 Apparatus for curing a composite laminate JERINI AG (DE) 2006-11-09 US claimed
EP-1575903-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES Jerini AG (DE) 2005-09-21 EP claimed
WO-2004065353-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES JERINI AG (DE) 2004-08-05 WO claimed
WO-2004056755-A2 COMPOUNDS FOR THE INHIBITION OF NON-PROTEOLYTIC ENZYMES JERENI AG (DE) 2004-07-08 WO claimed
EP-1433778-A1 Use of nitriles as rotamase inhibitors Jerini AG (DE) 2004-06-30 EP claimed
EP-1433779-A1 Use of nitriles as inhibitors of non-proteolytic enzymes Jerini AG (DE) 2004-06-30 EP claimed
US-20060252813-A1 Apparatus for curing a composite laminate JERINI AG (DE) 2006-11-09 US disclosed
EP-1575903-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES Jerini AG (DE) 2005-09-21 EP disclosed
WO-2004065353-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES JERINI AG (DE) 2004-08-05 WO disclosed
WO-2004056755-A2 COMPOUNDS FOR THE INHIBITION OF NON-PROTEOLYTIC ENZYMES JERENI AG (DE) 2004-07-08 WO disclosed
EP-1433778-A1 Use of nitriles as rotamase inhibitors Jerini AG (DE) 2004-06-30 EP disclosed
EP-1433779-A1 Use of nitriles as inhibitors of non-proteolytic enzymes Jerini AG (DE) 2004-06-30 EP 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-20060252813-A1 Apparatus for curing a composite laminate DHX29, HDHD5, DHRS9 CTSB 2514/4885CTSS 2720/4885CTSL 2274/4885

“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.