SCHEMBL6020439

SCHEMBL6020439

CCN(C#N)C(=O)C(Cc1ccccc1)NC(=O)Cc1c[nH]c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.51
KMT2A Q03164 2/20 0.49
ECE1 P42892 1/20 0.49
MEN1 O00255 1/20 0.49
ACE P12821 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48
CTSL P07711 2/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
MMP14 P50281 1/20 0.46
CTSS P25774 1/20 0.46
CTSK P43235 1/20 0.46
SLC6A2 P23975 1/20 0.46
FNTA P49354 1/20 0.46
FNTB P49356 1/20 0.46
CTSC P53634 1/20 0.46

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
SCHEMBL6021207 0.94 SLC6A2 (0.52) TACR1KMT2AHRH3CTSLMMP9
SCHEMBL6020035 0.93 MMP9 (0.53) TACR1KMT2AMEN1CTSLMMP9
SCHEMBL6020581 0.91 MC5R (0.57) TACR1KMT2AMEN1HRH3
SCHEMBL6020404 0.91 KMT2A (0.51) TACR1KMT2AMEN1ACECTSL
SCHEMBL6021107 0.89 KMT2A (0.58) TACR1KMT2AMEN1ACE
SCHEMBL6020494 0.87 CTSC (0.48) KMT2AMEN1HRH3CTSLMMP9
SCHEMBL6021416 0.86 KMT2A (0.59) TACR1KMT2ACTSLMMP9MMP8
SCHEMBL6019952 0.86 HRH3 (0.45) KMT2AMEN1HRH3CTSLMMP9
SCHEMBL6020969 0.86 MMP9 (0.44) TACR1KMT2AMEN1HRH3CTSL
SCHEMBL6019559 0.85 MEN1 (0.52) TACR1KMT2AMEN1ACECTSL

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 11 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
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 TACR1 3501/4885KMT2A 1324/4885ECE1 1864/4885

“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.