SCHEMBL6019559

SCHEMBL6019559

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

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
HCRTR1 O43613 1/20 0.52
CTSL P07711 2/20 0.51
TACR1 P25103 2/20 0.51
MMP9 P14780 1/20 0.51
MMP8 P22894 1/20 0.51
MMP14 P50281 1/20 0.51
ACE P12821 3/20 0.50
CTSS P25774 1/20 0.50
CTSK P43235 1/20 0.50
NPBWR1 P48145 1/20 0.49
MCHR1 Q99705 1/20 0.49
ALOX15 P16050 1/20 0.48
CCKBR P32239 1/20 0.48
KDM4E B2RXH2 1/20 0.48
CTSC P53634 2/20 0.48
P2RY14 Q15391 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
SCHEMBL6019870 0.91 MEN1 (0.57) MEN1KMT2AHCRTR1CTSLTACR1
SCHEMBL6021089 0.90 MEN1 (0.66) MEN1KMT2AHCRTR1CTSLTACR1
SCHEMBL6020035 0.89 MMP9 (0.53) MEN1KMT2AHCRTR1CTSLTACR1
SCHEMBL6021321 0.88 MMP9 (0.55) MEN1KMT2AHCRTR1CTSLTACR1
SCHEMBL6021347 0.87 TACR1 (0.63) MEN1KMT2ACTSLTACR1MMP9
SCHEMBL6020404 0.87 KMT2A (0.51) MEN1KMT2AHCRTR1CTSLTACR1
SCHEMBL6020207 0.86 KDM4E (0.52) MEN1KMT2AHCRTR1CTSLTACR1
SCHEMBL6020901 0.86 CTSL (0.68) CTSLTACR1MMP9MMP8MMP14
SCHEMBL6020622 0.86 TACR1 (0.56) MEN1KMT2AHCRTR1CTSLTACR1
SCHEMBL6021107 0.85 KMT2A (0.58) MEN1KMT2AHCRTR1TACR1ACE

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 MEN1 4215/4885KMT2A 1324/4885HCRTR1 89/4885

“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.