SCHEMBL6019470

SCHEMBL6019470

CSCC(NC(=S)Nc1ccc([N+](=O)[O-])cc1)C(=O)NCCC#N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 14/20 0.48
MAPT P10636 12/20 0.48
SMN1; SMN2 Q16637 9/20 0.48
LMNA P02545 9/20 0.48
MEN1 O00255 9/20 0.48
KMT2A Q03164 9/20 0.48
HTT P42858 7/20 0.48
GLA P06280 1/20 0.48
HPGD P15428 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAOA P21397 2/20 0.43
MAOB P27338 2/20 0.43
GAA P10253 1/20 0.42
NPSR1 Q6W5P4 3/20 0.41
TP53 P04637 2/20 0.41
MAPK1 P28482 1/20 0.41
HSP90AA1 P07900 1/20 0.41
XBP1 P17861 1/20 0.41
ALOX12 P18054 1/20 0.41

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
SCHEMBL6021268 0.91 ALDH1A1 (0.48) ALDH1A1MAPTSMN1; SMN2LMNAMEN1
SCHEMBL6020414 0.91 FPR1 (0.47) ALDH1A1MAPTSMN1; SMN2LMNAMEN1
SCHEMBL6021734 0.86 ALDH1A1 (0.47) ALDH1A1MAPTSMN1; SMN2LMNAMEN1
SCHEMBL6019923 0.85 GAA (0.45) ALDH1A1SMN1; SMN2LMNAKMT2AHPGD
SCHEMBL6021142 0.84 MAPT (0.53) ALDH1A1MAPTSMN1; SMN2LMNAMEN1
SCHEMBL6021004 0.84 ALDH1A1 (0.44) ALDH1A1MAPTLMNAHPGDMAOB
SCHEMBL6019300 0.83 CA1 (0.48) ALDH1A1MAPTSMN1; SMN2LMNAMEN1
SCHEMBL6021360 0.81 CA1 (0.36) ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL6021118 0.81 FPR2 (0.51) ALDH1A1MAPTSMN1; SMN2LMNAMEN1
SCHEMBL6020867 0.80 LMNA (0.47) ALDH1A1MAPTSMN1; SMN2LMNAHPGD

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

“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.