SCHEMBL6020969

SCHEMBL6020969

CCN(C#N)C(=O)C(Cc1csc2ccccc12)NC(=O)Cc1c[nH]c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 2/20 0.44
MMP8 P22894 2/20 0.44
MMP14 P50281 1/20 0.44
CYP1A2 P05177 1/20 0.44
POLB P06746 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
CTSL P07711 3/20 0.44
CTSS P25774 2/20 0.44
CTSK P43235 2/20 0.44
CCKBR P32239 2/20 0.42
TACR1 P25103 1/20 0.42
MMP2 P08253 1/20 0.42
CTSC P53634 2/20 0.42
LMNA P02545 2/20 0.42
IDO1 P14902 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
P2RY14 Q15391 1/20 0.41

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
SCHEMBL6019443 0.92 MEN1 (0.48) MMP9MMP8MMP14CTSLCTSS
SCHEMBL6020231 0.90 MEN1 (0.55) MMP9MMP8MMP14CYP1A2CYP3A4
SCHEMBL6020035 0.90 MMP9 (0.53) MMP9MMP8MMP14CTSLCTSS
SCHEMBL6020439 0.86 TACR1 (0.51) MMP9MMP8MMP14CTSLCTSS
SCHEMBL6021059 0.83 CTSL (0.63) MMP9MMP8CYP1A2POLBCYP3A4
SCHEMBL6021207 0.83 SLC6A2 (0.52) MMP9MMP8MMP14CTSLCTSS
SCHEMBL6020494 0.83 CTSC (0.48) MMP9MMP8MMP14CYP1A2POLB
SCHEMBL6020581 0.82 MC5R (0.57) CCKBRTACR1HRH3MEN1KMT2A
SCHEMBL6020064 0.82 CTSS (0.52) MMP9MMP8MMP14CTSLCTSS
SCHEMBL6020752 0.82 CTSL (0.50) MMP9MMP8MMP14POLBCTSL

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
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
WO-2004056755-A2 COMPOUNDS FOR THE INHIBITION OF NON-PROTEOLYTIC ENZYMES JERENI AG (DE) 2004-07-08 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 MMP9 2430/4885MMP8 2383/4885MMP14 3941/4885

“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.