SCHEMBL6020366

SCHEMBL6020366

N#CCCNC(=O)C(Cc1ccc(O)cc1)NC(=O)CCCc1c[nH]c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
HCRTR1 O43613 1/20 0.54
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
GFER P55789 1/20 0.52
MMP2 P08253 1/20 0.51
MMP9 P14780 1/20 0.51
MMP8 P22894 1/20 0.51
NMBR P28336 3/20 0.50
BMP1 P13497 1/20 0.50
BRS3 P32247 4/20 0.49
CTSL P07711 1/20 0.49
OPRM1 P35372 1/20 0.48
OPRD1 P41143 1/20 0.48
TACR3 P29371 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
SCHEMBL6019552 0.95 GFER (0.59) KMT2AMEN1KDM4EALDH1A1GFER
SCHEMBL6021114 0.94 KMT2A (0.58) KMT2AMEN1HCRTR1KDM4EALDH1A1
SCHEMBL6019965 0.91 CTSL (0.59) KMT2AMEN1HCRTR1KDM4EALDH1A1
SCHEMBL6021098 0.91 MEN1 (0.64) KMT2AMEN1HCRTR1KDM4EALDH1A1
SCHEMBL6020415 0.90 MEN1 (0.54) KMT2AMEN1HCRTR1KDM4EALDH1A1
SCHEMBL6021213 0.89 SLC6A2 (0.53) KMT2AMEN1GFERMMP2MMP9
SCHEMBL6020413 0.88 KMT2A (0.60) KMT2AMEN1KDM4EALDH1A1NMBR
SCHEMBL6019440 0.86 CTSL (0.61) KMT2AMEN1HCRTR1KDM4EALDH1A1
SCHEMBL6021415 0.86 CTSL (0.63) KMT2AMEN1HCRTR1KDM4EALDH1A1
SCHEMBL6019882 0.85 CTSL (0.60) KMT2AMEN1HCRTR1NMBRBRS3

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 KMT2A 1324/4885MEN1 4215/4885HCRTR1 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.