SCHEMBL6021026

SCHEMBL6021026

CS(=O)(=O)CC(NC(=O)CCCc1c[nH]c2ccccc12)C(=O)NCCC#N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.56
ALDH1A1 P00352 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
KMT2A Q03164 5/20 0.55
MEN1 O00255 4/20 0.55
HCRTR1 O43613 1/20 0.55
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
HPGD P15428 1/20 0.49
CYP2C19 P33261 1/20 0.49
RECQL P46063 1/20 0.49
MTNR1A P48039 2/20 0.48
CTSL P07711 2/20 0.47
MAPT P10636 4/20 0.46
TACR3 P29371 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MMP1 P03956 1/20 0.45
LMNA P02545 1/20 0.45
MAPK1 P28482 1/20 0.45
TACR1 P25103 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
SCHEMBL6020620 0.95 MAPT (0.50) KDM4EALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL6020621 0.92 KDM4E (0.59) KDM4EALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL6019957 0.89 CTSL (0.50) ALDH1A1KMT2ACTSLTACR3MMP1
SCHEMBL6021098 0.88 MEN1 (0.64) KDM4EALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL6021335 0.88 KDM4E (0.58) KDM4EALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL6019798 0.86 CTSL (0.58) KDM4EALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL6021032 0.86 KDM4E (0.60) KDM4EALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL6021114 0.86 KMT2A (0.58) KDM4EALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL6020366 0.83 KMT2A (0.54) KDM4EALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL6019882 0.82 CTSL (0.60) KMT2AMEN1HCRTR1CTSLMAPT

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
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 KDM4E 970/4885ALDH1A1 662/4885L3MBTL1 1177/4885

“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.