SCHEMBL6020896

SCHEMBL6020896

N#CCCNC(=S)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.65
SMN1; SMN2 Q16637 9/20 0.65
MAPT P10636 8/20 0.65
HTT P42858 7/20 0.65
LMNA P02545 7/20 0.65
MEN1 O00255 7/20 0.64
KMT2A Q03164 7/20 0.64
GLA P06280 1/20 0.64
MAOA P21397 3/20 0.62
MAOB P27338 3/20 0.62
ALOX12 P18054 3/20 0.60
NPSR1 Q6W5P4 2/20 0.60
TP53 P04637 1/20 0.60
MAPK1 P28482 1/20 0.60
HSP90AA1 P07900 1/20 0.60
XBP1 P17861 1/20 0.60
CYP19A1 P11511 1/20 0.56
QPCT Q16769 1/20 0.54
GAA P10253 2/20 0.50
TDP1 Q9NUW8 2/20 0.50

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
SCHEMBL27183045 0.84 POLB (0.63) ALDH1A1SMN1; SMN2MAPTHTTLMNA
SCHEMBL14574160 0.82 ALDH1A1 (0.72) ALDH1A1SMN1; SMN2MAPTHTTLMNA
SCHEMBL6019470 0.80 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2MAPTHTTLMNA
SCHEMBL27922872 0.79 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2MAPTHTTLMNA
SCHEMBL6021734 0.79 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2MAPTHTTLMNA
SCHEMBL6021142 0.79 MAPT (0.53) ALDH1A1SMN1; SMN2MAPTHTTLMNA
SCHEMBL6301912 0.78 ALDH1A1 (0.79) ALDH1A1SMN1; SMN2MAPTHTTLMNA
SCHEMBL14633632 0.78 ALDH1A1 (0.79) ALDH1A1SMN1; SMN2MAPTHTTLMNA
SCHEMBL6019300 0.78 CA1 (0.48) ALDH1A1SMN1; SMN2MAPTHTTLMNA
SCHEMBL8983488 0.78 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2MAPTHTTLMNA

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 10 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
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 ALDH1A1 662/4885SMN1; SMN2 3901/4885MAPT 4235/4885

“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.