SCHEMBL6019136

SCHEMBL6019136

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

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NMBR P28336 10/20 0.51
TACR1 P25103 3/20 0.49
CTSL P07711 2/20 0.49
CTSS P25774 1/20 0.49
CTSK P43235 1/20 0.49
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPK1 P28482 1/20 0.48
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
MMP14 P50281 1/20 0.47
CTSC P53634 1/20 0.46
ALOX15 P16050 1/20 0.45
GAA P10253 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL6020424 0.90 NMBR (0.52) NMBRTACR1CTSLCTSSCTSK
SCHEMBL6020206 0.88 NMBR (0.53) NMBRCTSLCTSSCTSKKDM4E
SCHEMBL6019319 0.88 CTSL (0.54) NMBRTACR1CTSLCTSSCTSK
SCHEMBL6020868 0.87 NMBR (0.64) NMBRTACR1CTSLCTSSCTSK
SCHEMBL6471830 0.87 NMBR (0.49) NMBRTACR1CTSLCTSSCTSK
SCHEMBL6020030 0.87 CCKBR (0.54) NMBRCTSLCTSSCTSKMMP9
SCHEMBL6020872 0.86 CTSL (0.55) NMBRTACR1CTSLCTSSCTSK
SCHEMBL6020622 0.86 TACR1 (0.56) NMBRTACR1CTSLCTSSCTSK
SCHEMBL6019670 0.85 MMP9 (0.52) TACR1CTSLCTSSCTSKMMP9
SCHEMBL6021347 0.85 TACR1 (0.63) TACR1CTSLCTSSCTSKKDM4E

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 3501/4885CTSL 2274/4885

“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.