SCHEMBL6021701

SCHEMBL6021701

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.55
ITGB2 P05107 3/20 0.51
ICAM1 P05362 3/20 0.51
ITGAL P20701 3/20 0.51
CTSS P25774 2/20 0.50
CTSB P07858 1/20 0.50
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
MAPT P10636 3/20 0.49
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CTSC P53634 1/20 0.49
MMP2 P08253 2/20 0.48
MMP1 P03956 1/20 0.48
MMP14 P50281 1/20 0.48
CTSK P43235 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
ACE P12821 1/20 0.47

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
SCHEMBL6019865 0.88 CTSL (0.71) CTSLITGB2ICAM1ITGALCTSS
SCHEMBL6019365 0.86 CTSL (0.62) CTSLITGB2ICAM1ITGALCTSS
SCHEMBL6019794 0.85 ITGB2 (0.61) CTSLITGB2ICAM1ITGALCTSS
SCHEMBL6021697 0.85 CTSL (0.58) CTSLITGB2ICAM1ITGALCTSS
SCHEMBL6019869 0.84 CCKBR (0.54) CTSLITGB2ICAM1ITGALKMT2A
SCHEMBL6020917 0.83 CTSL (0.77) CTSLITGB2ICAM1ITGALCTSS
SCHEMBL6021693 0.82 CCKBR (0.52) CTSLITGB2ICAM1ITGALKMT2A
SCHEMBL6020212 0.82 CTSL (0.47) CTSLCTSSLMNAMMP2CTSK
SCHEMBL6021783 0.82 ALDH1A1 (0.49) CTSLCTSSCTSBKMT2AMEN1
SCHEMBL6020632 0.80 CTSL (0.62) CTSLCTSSCTSBMAPTLMNA

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 CTSL 2274/4885ITGB2 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.