SCHEMBL6019856

SCHEMBL6019856

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

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 1/20 0.48
MMP8 P22894 1/20 0.48
TACR1 P25103 8/20 0.46
CTSB P07858 4/20 0.46
CTSS P25774 4/20 0.46
CTSL P07711 3/20 0.46
CTSK P43235 2/20 0.46
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.41
PIN1 Q13526 1/20 0.41
CA2 P00918 1/20 0.41
CTSD P07339 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CTSV O60911 1/20 0.39
CASR P41180 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
SCHEMBL6020161 0.89 CTSB (0.44) MMP9MMP8TACR1CTSBCTSS
SCHEMBL6020939 0.88 CTSL (0.45) MMP9MMP8CTSBCTSSCTSL
SCHEMBL6021341 0.87 CTSL (0.47) CTSBCTSSCTSLCTSKMAPT
SCHEMBL6018993 0.85 MMP9 (0.52) MMP9MMP8TACR1CTSBCTSS
SCHEMBL6021851 0.84 MMP9 (0.51) MMP9MMP8TACR1CTSBCTSS
SCHEMBL6019854 0.84 CTSL (0.66) CTSBCTSSCTSLCTSKCTSV
SCHEMBL6442967 0.83 CTSB (0.52) MMP9MMP8TACR1CTSBCTSS
SCHEMBL6020173 0.83 CTSS (0.50) MMP9MMP8TACR1CTSBCTSS
SCHEMBL6020300 0.82 CTSL (0.62) MMP9MMP8CTSBCTSSCTSL
SCHEMBL6019598 0.81 CTSD (0.46) MAPTHPGDCTSDALDH1A1

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 MMP9 2430/4885MMP8 2383/4885TACR1 3501/4885

“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.