SCHEMBL6019145

SCHEMBL6019145

C=CCCOC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(C)C#N

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NMBR P28336 11/20 0.58
TACR1 P25103 1/20 0.56
MAPT P10636 3/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CTSL P07711 2/20 0.54
CTSS P25774 1/20 0.54
CTSK P43235 1/20 0.54
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPK1 P28482 1/20 0.51
TACR3 P29371 1/20 0.51
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.49
HTT P42858 1/20 0.49
CTSC P53634 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
SCHEMBL6020423 0.88 CTSL (0.69) NMBRTACR1MAPTSMN1; SMN2CTSL
SCHEMBL6020884 0.88 NMBR (0.71) NMBRTACR1MAPTSMN1; SMN2CTSL
SCHEMBL6020214 0.87 NMBR (0.60) NMBRTACR1MAPTSMN1; SMN2CTSL
SCHEMBL6019329 0.87 MAPT (0.59) NMBRTACR1MAPTSMN1; SMN2CTSL
SCHEMBL6020889 0.86 CTSL (0.60) NMBRTACR1MAPTSMN1; SMN2CTSL
SCHEMBL6020632 0.86 CTSL (0.62) NMBRTACR1MAPTSMN1; SMN2CTSL
SCHEMBL6020044 0.86 NMBR (0.58) NMBRTACR1MAPTSMN1; SMN2CTSL
SCHEMBL6019142 0.85 NMBR (0.65) NMBRTACR1MAPTCTSLCTSS
SCHEMBL6019675 0.84 CTSL (0.56) MAPTCTSLCTSSCTSKKDM4E
SCHEMBL6020424 0.84 NMBR (0.52) NMBRTACR1MAPTSMN1; SMN2CTSL

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
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
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 NMBR 2003/4885TACR1 3501/4885MAPT 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.