SCHEMBL6019545

SCHEMBL6019545

CCN(C#N)C(=O)C(Cc1ccc(O)cc1)NC(=O)CCc1c[nH]c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.53
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
HCRTR1 O43613 1/20 0.48
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SLC6A2 P23975 1/20 0.46
GAA P10253 1/20 0.45
OPRM1 P35372 2/20 0.45
OPRD1 P41143 2/20 0.45
ACE P12821 1/20 0.45
CTSD P07339 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL6020355 0.95 MEN1 (0.55) GFERKMT2AMEN1HCRTR1ALDH1A1
SCHEMBL6020404 0.94 KMT2A (0.51) KMT2AMEN1HCRTR1ALDH1A1MAPT
SCHEMBL6021207 0.91 SLC6A2 (0.52) GFERKMT2AMAPTSLC6A2OPRM1
SCHEMBL6019870 0.91 MEN1 (0.57) KMT2AMEN1HCRTR1ALDH1A1MAPT
SCHEMBL6019864 0.90 MC5R (0.52) GFERKMT2AMEN1HCRTR1ALDH1A1
SCHEMBL6021107 0.89 KMT2A (0.58) KMT2AMEN1HCRTR1ALDH1A1MAPT
SCHEMBL6021507 0.85 ALDH1A1 (0.49) KMT2AMEN1HCRTR1ALDH1A1MAPT
SCHEMBL6021089 0.85 MEN1 (0.66) KMT2AMEN1HCRTR1ALDH1A1MAPT
SCHEMBL6020403 0.85 MEN1 (0.54) KMT2AMEN1HCRTR1ALDH1A1MAPT
SCHEMBL6020439 0.84 TACR1 (0.51) KMT2AMEN1SLC6A2ACE

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 GFER 740/4885KMT2A 1324/4885MEN1 4215/4885

“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.