SCHEMBL6021030

SCHEMBL6021030

CCN(C#N)C(=O)C(Cc1c[nH]c2ccccc12)NC(=O)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 6/20 0.58
CCKBR P32239 3/20 0.55
FPR1 P21462 4/20 0.51
MMP2 P08253 3/20 0.48
ITGB2 P05107 1/20 0.47
ICAM1 P05362 1/20 0.47
ITGAL P20701 1/20 0.47
DNMT1 P26358 1/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
MMP9 P14780 2/20 0.45
MMP14 P50281 2/20 0.45
MMP8 P22894 1/20 0.45
MMP1 P03956 1/20 0.44

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
SCHEMBL6020110 0.92 CA1 (0.53) FPR2CCKBRFPR1MMP2ITGB2
SCHEMBL6020264 0.89 CCKBR (0.59) FPR2CCKBRFPR1MEN1MAPT
SCHEMBL6020978 0.88 CCKBR (0.59) FPR2CCKBRFPR1MEN1MAPT
SCHEMBL6021746 0.86 CCKBR (0.56) FPR2CCKBRFPR1MMP2KMT2A
SCHEMBL6019748 0.86 CCKBR (0.56) FPR2CCKBRFPR1MEN1MAPT
SCHEMBL6020764 0.84 FPR2 (0.72) FPR2CCKBRFPR1MMP2ITGB2
SCHEMBL6021811 0.84 LMNA (0.56) FPR2CCKBRFPR1MMP2MAPT
SCHEMBL6020959 0.84 CCKBR (0.54) FPR2CCKBRFPR1MAPTKMT2A
SCHEMBL6020987 0.83 MEN1 (0.43) FPR2CCKBRFPR1MMP2MEN1
SCHEMBL6020927 0.83 FPR2 (0.52) FPR2FPR1MEN1KMT2A

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 12 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
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 FPR2 3247/4885CCKBR 531/4885FPR1 3451/4885

“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.