SCHEMBL6021063

SCHEMBL6021063

CCN(C#N)C(=O)C(Cc1c[nH]c2ccccc12)NC(=O)NC1CC1c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.51
CTSL P07711 2/20 0.45
TACR1 P25103 1/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
MMP14 P50281 1/20 0.45
CTSS P25774 1/20 0.45
CTSK P43235 1/20 0.45
CCKBR P32239 4/20 0.44
ITGB2 P05107 2/20 0.43
ICAM1 P05362 2/20 0.43
ITGAL P20701 2/20 0.43
ALOX15 P16050 1/20 0.43
CTSC P53634 2/20 0.42
NMBR P28336 1/20 0.42
ACE P12821 1/20 0.42
FPR2 P25090 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
SCHEMBL6021269 0.84 CTSL (0.65) KDM1ACTSLTACR1CTSSCTSK
SCHEMBL6020100 0.84 EPHX2 (0.44) KDM1ACTSLCTSSCTSK
SCHEMBL6018648 0.84 NMBR (0.51) MMP9MMP8MMP14CCKBRITGB2
SCHEMBL6019480 0.83 CTSL (0.45) KDM1ACTSLTACR1MMP9MMP8
SCHEMBL6021416 0.82 KMT2A (0.59) CTSLTACR1MMP9MMP8MMP14
SCHEMBL6021477 0.81 SMN1; SMN2 (0.43) KDM1A
SCHEMBL6021347 0.81 TACR1 (0.63) CTSLTACR1MMP9MMP8MMP14
SCHEMBL6021286 0.81 MMP9 (0.55) CTSLTACR1MMP9MMP8MMP14
SCHEMBL6020857 0.81 CTSL (0.46) KDM1ACTSLCTSSCTSK
SCHEMBL6020665 0.81 EPHX2 (0.55) CTSLTACR1MMP9MMP8MMP14

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
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
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 KDM1A 1111/4885CTSL 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.