SCHEMBL6019970

SCHEMBL6019970

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.57
MEN1 O00255 4/20 0.57
HCRTR1 O43613 1/20 0.57
KDM4E B2RXH2 2/20 0.56
ALDH1A1 P00352 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
GFER P55789 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
HPGD P15428 1/20 0.47
CYP2C19 P33261 1/20 0.47
RECQL P46063 1/20 0.47
MAPT P10636 4/20 0.46
TDP1 Q9NUW8 1/20 0.46
SLC6A2 P23975 1/20 0.46
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
TACR1 P25103 1/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45

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
SCHEMBL6021420 0.94 KMT2A (0.60) KMT2AMEN1HCRTR1KDM4EALDH1A1
SCHEMBL6020786 0.91 MEN1 (0.68) KMT2AMEN1HCRTR1KDM4EALDH1A1
SCHEMBL6019737 0.90 MEN1 (0.55) KMT2AMEN1HCRTR1KDM4EALDH1A1
SCHEMBL6020355 0.90 MEN1 (0.55) KMT2AMEN1HCRTR1KDM4EALDH1A1
SCHEMBL6020942 0.85 KDM4E (0.60) KMT2AMEN1HCRTR1KDM4EALDH1A1
SCHEMBL6019965 0.85 CTSL (0.59) KMT2AMEN1HCRTR1KDM4EALDH1A1
SCHEMBL6020373 0.84 KDM4E (0.58) KMT2AMEN1HCRTR1KDM4EALDH1A1
SCHEMBL6019545 0.84 GFER (0.53) KMT2AMEN1HCRTR1KDM4EALDH1A1
SCHEMBL6020626 0.84 ALDH1A1 (0.58) KMT2AMEN1HCRTR1KDM4EALDH1A1
SCHEMBL6020048 0.84 MEN1 (0.57) KMT2AMEN1HCRTR1KDM4EALDH1A1

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
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
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.