SCHEMBL6019294

SCHEMBL6019294

CCN(C#N)C(=O)C(Cc1ccc(O)cc1)NC(=S)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
ALDH1A1 P00352 9/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
LMNA P02545 5/20 0.43
MAPT P10636 5/20 0.43
HTT P42858 4/20 0.43
HPGD P15428 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
RRM1 P23921 1/20 0.41
RRM2 P31350 1/20 0.41
RRM2B Q7LG56 1/20 0.41
GLA P06280 1/20 0.41
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40

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
SCHEMBL6021135 0.92 ALDH1A1 (0.47) CA1CA2ALDH1A1SMN1; SMN2LMNA
SCHEMBL6019679 0.91 FPR2 (0.47) ALDH1A1SMN1; SMN2LMNAMAPTHTT
SCHEMBL6020603 0.87 TACR1 (0.48) ALDH1A1SMN1; SMN2LMNAMAPTHTT
SCHEMBL6019826 0.86 CTSL (0.51) CA1CA2SMN1; SMN2LMNAHPGD
SCHEMBL6020805 0.85 CA1 (0.46) CA1CA2ALDH1A1LMNAMAPT
SCHEMBL6019466 0.85 ALDH1A1 (0.46) CA1CA2ALDH1A1SMN1; SMN2LMNA
SCHEMBL6020722 0.84 CA1 (0.46) CA1CA2SMN1; SMN2MAPTL3MBTL1
SCHEMBL6021732 0.83 ALDH1A1 (0.45) CA1CA2ALDH1A1SMN1; SMN2LMNA
SCHEMBL6020402 0.82 CTSL (0.54) CA1CA2ALDH1A1SMN1; SMN2LMNA
SCHEMBL6020927 0.82 FPR2 (0.52) CA1CA2SMN1; SMN2HTTMEN1

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 CA1 1403/4885CA2 2390/4885ALDH1A1 662/4885

“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.