SCHEMBL6019738

SCHEMBL6019738

N#CCNC(=O)C(Cc1ccccc1)NC(=S)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSS P25774 8/20 0.57
CTSK P43235 5/20 0.57
CTSL P07711 9/20 0.55
CTSB P07858 5/20 0.55
MEN1 O00255 1/20 0.54
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
MAPT P10636 1/20 0.54
MAOA P21397 1/20 0.54
MAOB P27338 1/20 0.54
HTT P42858 1/20 0.54
KMT2A Q03164 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
FPR1 P21462 2/20 0.54
FPR2 P25090 2/20 0.54
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CYP19A1 P11511 1/20 0.49

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
SCHEMBL6020402 0.92 CTSL (0.54) CTSSCTSKCTSLCTSBMEN1
SCHEMBL6021142 0.91 MAPT (0.53) CTSSCTSKCTSLCTSBMEN1
SCHEMBL6021535 0.90 CTSB (0.57) CTSSCTSKCTSLCTSBMEN1
SCHEMBL6019803 0.90 FPR1 (0.65) CTSSCTSKCTSLCTSBFPR1
SCHEMBL6021111 0.88 CTSS (0.68) CTSSCTSKCTSLCTSBCA1
SCHEMBL6021268 0.85 ALDH1A1 (0.48) MEN1ALDH1A1LMNAMAPTMAOA
SCHEMBL6020734 0.84 CTSL (0.58) CTSSCTSKCTSLMEN1ALDH1A1
SCHEMBL6020263 0.84 CTSL (0.61) CTSSCTSKCTSLMEN1MAPT
SCHEMBL6019215 0.84 ALDH1A1 (0.48) CTSSCTSLCTSBMEN1ALDH1A1
SCHEMBL6019922 0.83 CTSL (0.60) CTSSCTSKCTSLCTSBMAPT

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 CTSS 2720/4885CTSK 2529/4885CTSL 2274/4885

“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.