SCHEMBL6019566

SCHEMBL6019566

CCN(C#N)C(=O)C(CSC)NC(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.44
ALDH1A1 P00352 7/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 3/20 0.40
KDM4E B2RXH2 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 2/20 0.40
GLA P06280 2/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL6019598 0.87 CTSD (0.46) CTSDALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL6021771 0.87 LMNA (0.45) CTSDALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL6020512 0.86 SMN1; SMN2 (0.43) CTSDALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL6021164 0.84 CTSL (0.46) CTSDALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL6020898 0.84 CTSB (0.38) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL6019121 0.83 LMNA (0.42) ALDH1A1SMN1; SMN2MAPTKDM4ETDP1
SCHEMBL6446903 0.82 CLPP (0.43) SMN1; SMN2MEN1KMT2A
SCHEMBL6020161 0.82 CTSB (0.44) CTSDMAPT
SCHEMBL6020253 0.80 CTSL (0.47) ALDH1A1TDP1LMNAMEN1KMT2A
SCHEMBL6019589 0.80 CTSL (0.47) CTSDALDH1A1MEN1KMT2A

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 CTSD 2588/4885ALDH1A1 662/4885SMN1; SMN2 3901/4885

“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.