SCHEMBL6020116

SCHEMBL6020116

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.58
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
CTSL P07711 2/20 0.51
MMP2 P08253 2/20 0.49
FPR1 P21462 2/20 0.48
CTSS P25774 1/20 0.48
CTSK P43235 1/20 0.48
MAPT P10636 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ITGB2 P05107 1/20 0.46
ICAM1 P05362 1/20 0.46
ITGAL P20701 1/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
NMBR P28336 1/20 0.46
MMP1 P03956 1/20 0.46
MMP14 P50281 1/20 0.46
TACR3 P29371 1/20 0.45
BCL2A1 Q16548 2/20 0.45

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
SCHEMBL6020263 0.92 CTSL (0.61) FPR2CA1CA2CTSLMMP2
SCHEMBL6021038 0.92 FPR2 (0.68) FPR2CTSLMMP2FPR1CTSS
SCHEMBL6020694 0.90 CTSL (0.60) FPR2CA1CA2CTSLFPR1
SCHEMBL6021316 0.86 LMNA (0.58) FPR2CA1CA2CTSLFPR1
SCHEMBL6021487 0.85 CA1 (0.51) FPR2CA1CA2CTSLFPR1
SCHEMBL6020790 0.84 LMNA (0.59) FPR2CA1CA2CTSLMMP2
SCHEMBL6020241 0.84 CTSL (0.48) FPR2CTSLMMP2FPR1CTSS
SCHEMBL6021142 0.83 MAPT (0.53) FPR2CA1CA2CTSLFPR1
SCHEMBL6020764 0.83 FPR2 (0.72) FPR2CTSLMMP2FPR1CTSS
SCHEMBL6019172 0.82 CTSL (0.61) CTSLCTSSCTSKKMT2ANMBR

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

“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.