SCHEMBL6020110

SCHEMBL6020110

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
FPR2 P25090 2/20 0.49
MMP2 P08253 3/20 0.47
CCKBR P32239 3/20 0.46
ITGB2 P05107 1/20 0.46
ICAM1 P05362 1/20 0.46
ITGAL P20701 1/20 0.46
DNMT1 P26358 1/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MMP9 P14780 2/20 0.44
MMP14 P50281 2/20 0.44
MMP8 P22894 1/20 0.44
FPR1 P21462 2/20 0.43
MMP1 P03956 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
FAAH O00519 1/20 0.42
TRPV1 Q8NER1 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
SCHEMBL6021030 0.92 FPR2 (0.58) FPR2MMP2CCKBRITGB2ICAM1
SCHEMBL6020689 0.90 CA1 (0.58) CA1CA2FPR2CCKBRMMP9
SCHEMBL6021311 0.87 LMNA (0.53) CA1CA2FPR2MMP2CCKBR
SCHEMBL6021486 0.85 CA1 (0.51) CA1CA2FPR2CCKBRMAPT
SCHEMBL6020263 0.84 CTSL (0.61) CA1CA2FPR2MMP2ITGB2
SCHEMBL6020787 0.84 MAPT (0.54) CA1CA2FPR2MMP2CCKBR
SCHEMBL6020236 0.84 CTSL (0.42) MMP2MAPTMEN1KMT2AMMP9
SCHEMBL6021135 0.84 ALDH1A1 (0.47) CA1CA2FPR2MAPTMEN1
SCHEMBL6019168 0.83 CTSL (0.51) CA1CA2CCKBRITGB2ICAM1
SCHEMBL6019742 0.83 MMP9 (0.51) CA1CA2MMP2CCKBRMMP9

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 CA1 1403/4885CA2 2390/4885FPR2 3247/4885

“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.