SCHEMBL6021134

SCHEMBL6021134

CCN(C#N)C(=O)C(Cc1ccccc1)NC(=O)NCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.58
CTSS P25774 4/20 0.56
CTSK P43235 4/20 0.56
CTSL P07711 3/20 0.56
CTSB P07858 3/20 0.56
ANPEP P15144 2/20 0.56
ALDH1A1 P00352 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
PSMB5 P28074 1/20 0.49
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.47
KLKB1 P03952 1/20 0.47
GAA P10253 1/20 0.46

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
SCHEMBL6020479 0.94 ATM (0.62) ATMCTSSCTSKCTSLCTSB
SCHEMBL6020495 0.94 CTSL (0.54) ATMCTSSCTSKCTSLCTSB
SCHEMBL6019535 0.90 ATM (0.49) ATMCTSSCTSKCTSLCTSB
SCHEMBL6020163 0.90 CTSB (0.52) ATMCTSSCTSKCTSLCTSB
SCHEMBL6021443 0.89 CTSL (0.55) ATMCTSSCTSKCTSLCTSB
SCHEMBL6020442 0.88 KMT2A (0.51) ATMCTSSCTSKCTSLCTSB
SCHEMBL6020096 0.86 CTSL (0.53) ATMCTSSCTSKCTSLCTSB
SCHEMBL6021366 0.85 ATM (0.51) ATMCTSSCTSKCTSLCTSB
SCHEMBL6020216 0.85 CTSK (0.60) CTSSCTSKCTSLCTSB
SCHEMBL6021553 0.85 CTSL (0.52) ATMCTSSCTSKCTSLCTSB

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 ATM 4526/4885CTSS 2720/4885CTSK 2529/4885

“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.