SCHEMBL6019869

SCHEMBL6019869

CN(C#N)C(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 2/20 0.54
ITGB2 P05107 6/20 0.51
ICAM1 P05362 6/20 0.51
ITGAL P20701 6/20 0.51
MMP9 P14780 2/20 0.50
MMP8 P22894 1/20 0.50
MMP14 P50281 1/20 0.50
CTSL P07711 1/20 0.50
KMT2A Q03164 2/20 0.49
TACR1 P25103 3/20 0.48
MAPT P10636 2/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
HPGD P15428 1/20 0.47
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
DNMT1 P26358 1/20 0.45

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
SCHEMBL6021693 0.90 CCKBR (0.52) CCKBRITGB2ICAM1ITGALMMP9
SCHEMBL6020888 0.86 CCKBR (0.58) CCKBRITGB2ICAM1ITGALMMP9
SCHEMBL6020660 0.85 ITGB2 (0.61) CCKBRITGB2ICAM1ITGALMMP9
SCHEMBL6019865 0.85 CTSL (0.71) ITGB2ICAM1ITGALMMP14CTSL
SCHEMBL6021701 0.84 CTSL (0.55) ITGB2ICAM1ITGALMMP9MMP8
SCHEMBL5526318 0.83 CTSL (0.71) CCKBRITGB2ICAM1ITGALMMP9
SCHEMBL6020256 0.83 CTSL (0.71) CCKBRITGB2ICAM1ITGALMMP9
SCHEMBL6019908 0.82 CTSL (0.43) MMP9MMP8CTSLTACR1ALDH1A1
SCHEMBL6020939 0.82 CTSL (0.45) MMP9MMP8MMP14CTSLKMT2A
SCHEMBL6021697 0.81 CTSL (0.58) ITGB2ICAM1ITGALCTSLKMT2A

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 8 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
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
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 CCKBR 531/4885ITGB2 93/4885ICAM1 3790/4885

“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.