SCHEMBL6020520

SCHEMBL6020520

CCCCOC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N(C)C#N

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 6/20 0.55
NMBR P28336 6/20 0.53
MMP9 P14780 1/20 0.52
MMP8 P22894 1/20 0.52
MMP14 P50281 1/20 0.52
KCNA5 P22460 2/20 0.51
CTSL P07711 1/20 0.51
CTSS P25774 1/20 0.51
CTSK P43235 1/20 0.51
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPK1 P28482 1/20 0.50
TACR1 P25103 1/20 0.49

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
SCHEMBL6020814 0.96 CCKBR (0.56) CCKBRNMBRMMP9MMP8MMP14
SCHEMBL6020206 0.91 NMBR (0.53) CCKBRNMBRMMP9MMP8MMP14
SCHEMBL6020973 0.91 MMP9 (0.55) CCKBRNMBRMMP9MMP8MMP14
SCHEMBL6019709 0.88 CTSL (0.55) CCKBRNMBRMMP9MMP8MMP14
SCHEMBL6019223 0.87 MMP9 (0.58) CCKBRNMBRMMP9MMP8MMP14
SCHEMBL6020030 0.87 CCKBR (0.54) CCKBRNMBRMMP9MMP8CTSL
SCHEMBL6020424 0.87 NMBR (0.52) CCKBRNMBRMMP9MMP8MMP14
SCHEMBL6020369 0.87 NMBR (0.65) CCKBRNMBRMMP9MMP8MMP14
SCHEMBL9833670 0.85 CCKBR (0.73) CCKBR
SCHEMBL3820631 0.84 KCNA5 (0.63) NMBRKCNA5

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 CCKBR 531/4885NMBR 2003/4885MMP9 2430/4885

“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.