SCHEMBL6019870

SCHEMBL6019870

CCN(C#N)C(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CCc1c[nH]c2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
HCRTR1 O43613 1/20 0.57
MMP9 P14780 1/20 0.52
MMP8 P22894 1/20 0.52
MMP14 P50281 1/20 0.52
ALDH1A1 P00352 2/20 0.51
MAPT P10636 2/20 0.51
KDM4E B2RXH2 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
GAA P10253 1/20 0.50
CTSL P07711 2/20 0.49
TACR1 P25103 1/20 0.49
CCKBR P32239 1/20 0.48
CTSS P25774 1/20 0.48
CTSK P43235 1/20 0.48
CTSC P53634 2/20 0.48
NPBWR1 P48145 1/20 0.48
MCHR1 Q99705 1/20 0.48
TACR3 P29371 1/20 0.48

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
SCHEMBL6021089 0.94 MEN1 (0.66) MEN1KMT2AHCRTR1MMP9MMP8
SCHEMBL6020404 0.93 KMT2A (0.51) MEN1KMT2AHCRTR1ALDH1A1MAPT
SCHEMBL6019559 0.91 MEN1 (0.52) MEN1KMT2AHCRTR1MMP9MMP8
SCHEMBL6019545 0.91 GFER (0.53) MEN1KMT2AHCRTR1ALDH1A1MAPT
SCHEMBL6021507 0.90 ALDH1A1 (0.49) MEN1KMT2AHCRTR1ALDH1A1MAPT
SCHEMBL6019443 0.90 MEN1 (0.48) MEN1KMT2AHCRTR1MMP9MMP8
SCHEMBL6020035 0.90 MMP9 (0.53) MEN1KMT2AHCRTR1MMP9MMP8
SCHEMBL6019864 0.89 MC5R (0.52) MEN1KMT2AHCRTR1ALDH1A1MAPT
SCHEMBL6020611 0.89 ALDH1A1 (0.48) MEN1KMT2AHCRTR1ALDH1A1MAPT
SCHEMBL6021107 0.88 KMT2A (0.58) MEN1KMT2AHCRTR1ALDH1A1MAPT

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 11 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
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.