SCHEMBL6020111

SCHEMBL6020111

CCN(C#N)C(=O)C(Cc1csc2ccccc12)NC(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.44
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
F10 P00742 2/20 0.38
CTSD P07339 1/20 0.37
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
GAA P10253 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
OPRM1 P35372 2/20 0.36
OPRD1 P41143 2/20 0.36
OPRK1 P41145 2/20 0.36
TACR1 P25103 1/20 0.36
PLK1 P53350 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL6019908 0.90 CTSL (0.43) CTSLCTSSCTSKF10CTSD
SCHEMBL6020564 0.87 CTSL (0.49) CTSLCTSSCTSKF10ALDH1A1
SCHEMBL6020061 0.86 CTSL (0.47) CTSLCTSSCTSKF10MAPT
SCHEMBL6020920 0.85 CTSL (0.48) CTSLCTSSCTSKF10ALDH1A1
SCHEMBL6019753 0.84 CTSL (0.52) CTSLCTSSCTSKF10MMP2
SCHEMBL6019916 0.83 CTSL (0.61) CTSLCTSSCTSKMMP2MMP9
SCHEMBL6021693 0.83 CCKBR (0.52) CTSLALDH1A1MEN1MAPTKMT2A
SCHEMBL6021771 0.82 LMNA (0.45) CTSLCTSSCTSKCTSDALDH1A1
SCHEMBL6020212 0.82 CTSL (0.47) CTSLCTSSCTSKF10CTSD
SCHEMBL6020064 0.82 CTSS (0.52) CTSLCTSSCTSKF10ALDH1A1

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 10 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
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 2274/4885CTSS 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.