SCHEMBL6020117

SCHEMBL6020117

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.51
CTSS P25774 2/20 0.51
CTSK P43235 1/20 0.51
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
KLKB1 P03952 3/20 0.39
KLK1 P06870 2/20 0.39
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
F10 P00742 2/20 0.38
CTSD P07339 1/20 0.38
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.37
CTSV O60911 1/20 0.37
CTSB P07858 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL6019916 0.91 CTSL (0.61) CTSLCTSSCTSKMMP2MMP9
SCHEMBL6020570 0.86 CTSL (0.57) CTSLCTSSCTSKMMP2MMP9
SCHEMBL6020063 0.85 CTSL (0.54) CTSLCTSSCTSKMMP2MMP9
SCHEMBL6020212 0.85 CTSL (0.47) CTSLCTSSCTSKMMP2MMP9
SCHEMBL6019756 0.83 CTSL (0.60) CTSLCTSSCTSKMMP2MMP9
SCHEMBL6021697 0.82 CTSL (0.58) CTSLCTSSCTSKMEN1KMT2A
SCHEMBL6021778 0.82 CTSL (0.53) CTSLCTSSCTSKCTSVCTSB
SCHEMBL6019908 0.81 CTSL (0.43) CTSLCTSSCTSKMMP2MMP9
SCHEMBL6020070 0.81 CTSS (0.62) CTSLCTSSCTSKMMP2MMP9
SCHEMBL6020999 0.81 CTSL (0.49) CTSLCTSSCTSKMMP2MMP9

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 6 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-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-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.