SCHEMBL6019598

SCHEMBL6019598

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

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.46
ALDH1A1 P00352 3/20 0.45
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 3/20 0.41
MAPT P10636 3/20 0.41
TDP1 Q9NUW8 2/20 0.40
GLA P06280 1/20 0.40
HPGD P15428 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 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
SCHEMBL6019566 0.87 CTSD (0.44) CTSDALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL6020939 0.86 CTSL (0.45) CTSDALDH1A1LMNAMEN1KMT2A
SCHEMBL6020503 0.85 CTSD (0.44) CTSDALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL6021341 0.83 CTSL (0.47) CTSDALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL6020725 0.83 CTSB (0.40) ALDH1A1KMT2AKDM4E
SCHEMBL6020881 0.82 POLB (0.43) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL6019589 0.81 CTSL (0.47) CTSDALDH1A1MEN1KMT2A
SCHEMBL6019856 0.81 MMP9 (0.48) CTSDALDH1A1MAPTHPGD
SCHEMBL6019579 0.80 CTSD (0.46) CTSDALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL6020007 0.79 CTSL (0.51) ALDH1A1LMNAMEN1KMT2ATDP1

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 9 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

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 662/4885LMNA 549/4885

“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.