SCHEMBL6019574

SCHEMBL6019574

CSCC(NC(=O)c1ccccc1[N+](=O)[O-])C(=O)NCCC#N

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.44
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 2/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
GLA P06280 1/20 0.38

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
SCHEMBL6019589 0.90 CTSL (0.47) CTSDALDH1A1MEN1KMT2A
SCHEMBL6020519 0.86 CTSD (0.43) CTSDALDH1A1HPGDMEN1KMT2A
SCHEMBL6021778 0.85 CTSL (0.53) MEN1KMT2A
SCHEMBL6020908 0.84 CTSL (0.44)
SCHEMBL6443305 0.83 CTSD (0.46) CTSDALDH1A1HPGDMEN1KMT2A
SCHEMBL6019579 0.83 CTSD (0.46) CTSDALDH1A1HPGDMEN1KMT2A
SCHEMBL6021168 0.83 CTSL (0.54) CTSDALDH1A1LMNA
SCHEMBL6019127 0.83 SMN1; SMN2 (0.43) MEN1KMT2ASMN1; SMN2
SCHEMBL6020168 0.81 CTSL (0.54) HPGD
SCHEMBL6020261 0.80 CTSL (0.58)

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 8 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-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
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 662/4885HPGD 2321/4885

“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.