SCHEMBL6019865

SCHEMBL6019865

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

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.71
CTSS P25774 1/20 0.61
CTSK P43235 1/20 0.61
ITGB2 P05107 7/20 0.54
ICAM1 P05362 7/20 0.54
ITGAL P20701 7/20 0.54
KMT2A Q03164 2/20 0.52
TACR1 P25103 1/20 0.52
MAPT P10636 2/20 0.50
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MMP1 P03956 1/20 0.48
MMP2 P08253 1/20 0.48
MMP14 P50281 1/20 0.48
FPR2 P25090 1/20 0.48
DNMT1 P26358 1/20 0.48
NMBR P28336 1/20 0.48
ALDH1A1 P00352 1/20 0.48

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
SCHEMBL6021697 0.91 CTSL (0.58) CTSLCTSSCTSKITGB2ICAM1
SCHEMBL6021701 0.88 CTSL (0.55) CTSLCTSSCTSKITGB2ICAM1
SCHEMBL6020899 0.87 CTSL (0.79) CTSLCTSSCTSKITGB2ICAM1
SCHEMBL6020653 0.85 CTSL (0.76) CTSLCTSSCTSKITGB2ICAM1
SCHEMBL6019869 0.85 CCKBR (0.54) CTSLITGB2ICAM1ITGALKMT2A
SCHEMBL5526323 0.83 CTSL (1.00) CTSLCTSSCTSKITGB2ICAM1
SCHEMBL6020260 0.83 CTSL (1.00) CTSLCTSSCTSKITGB2ICAM1
SCHEMBL6021693 0.83 CCKBR (0.52) CTSLITGB2ICAM1ITGALKMT2A
SCHEMBL6020934 0.82 CTSL (0.65) CTSLCTSSCTSK
SCHEMBL6019916 0.82 CTSL (0.61) CTSLCTSSCTSKMMP2

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 CTSL 2274/4885CTSS 2720/4885CTSK 2529/4885

“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.