SCHEMBL6020255

SCHEMBL6020255

CC(C#N)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NMBR P28336 10/20 0.52
CTSL P07711 3/20 0.52
TACR1 P25103 2/20 0.52
CTSS P25774 2/20 0.52
CTSK P43235 1/20 0.52
MAPT P10636 3/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TACR3 P29371 1/20 0.49
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.48
HTT P42858 1/20 0.48
CTSC P53634 1/20 0.48
CTSB P07858 1/20 0.47

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
SCHEMBL6020248 0.89 CTSL (0.67) NMBRCTSLTACR1CTSSCTSK
SCHEMBL6020259 0.85 NMBR (0.58) NMBRCTSLTACR1CTSSCTSK
SCHEMBL30638783 0.85 NMBR (0.51) NMBRCTSLTACR1CTSSCTSK
SCHEMBL29354625 0.85 NMBR (0.56) NMBRTACR1MAPTSMN1; SMN2
Water SCHEMBL6022940 0.85 ALOX15 (0.55) NMBR
SCHEMBL8226837 0.85 NMBR (0.52) NMBRTACR1MAPTSMN1; SMN2TACR3
SCHEMBL30074815 0.85 KMT2A (0.58) NMBRTACR1MAPTSMN1; SMN2
SCHEMBL6019329 0.85 MAPT (0.59) NMBRCTSLTACR1CTSSCTSK
Hydrochloric Acid SCHEMBL29352779 0.85 NMBR (0.55) NMBRTACR1MAPTSMN1; SMN2
SCHEMBL6020889 0.85 CTSL (0.60) NMBRCTSLTACR1CTSSCTSK

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 8 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-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 2003/4885CTSL 2274/4885TACR1 3501/4885

“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.