SCHEMBL6021486

SCHEMBL6021486

CCN(C#N)C(=O)C(Cc1c[nH]c2ccccc12)NC(=S)Nc1ccc(CC(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
CCKBR P32239 4/20 0.46
TACR1 P25103 6/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
MMP14 P50281 1/20 0.43
CTSL P07711 2/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
FPR2 P25090 1/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL6020689 0.89 CA1 (0.58) CA1CA2CCKBRTACR1MMP9
SCHEMBL6020787 0.88 MAPT (0.54) CA1CA2CCKBRTACR1MMP9
SCHEMBL6021311 0.86 LMNA (0.53) CA1CA2CCKBRMMP9FPR2
SCHEMBL6020110 0.85 CA1 (0.53) CA1CA2CCKBRTACR1MMP9
SCHEMBL6019563 0.85 CA1 (0.45) CA1CA2CTSLCTSSCTSK
SCHEMBL6019883 0.85 CTSL (0.61) CA1CA2TACR1CTSLCTSS
SCHEMBL6020710 0.84 CTSL (0.43) CA1CA2TACR1MMP9MMP8
SCHEMBL6019168 0.82 CTSL (0.51) CA1CA2CCKBRTACR1MMP9
SCHEMBL6019742 0.82 MMP9 (0.51) CA1CA2CCKBRTACR1MMP9
SCHEMBL6019748 0.82 CCKBR (0.56) CCKBRTACR1MMP9MMP8MMP14

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 7 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
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
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 CA1 1403/4885CA2 2390/4885CCKBR 531/4885

“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.