SCHEMBL6020933

SCHEMBL6020933

N#CCCNC(=O)C(Cc1ccccc1)NC(=O)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 10/20 0.62
FPR1 P21462 4/20 0.62
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
CTSS P25774 3/20 0.47
CTSK P43235 2/20 0.47
SSTR3 P32745 1/20 0.47
PPIA P62937 1/20 0.46
CTSL P07711 3/20 0.46
CTSB P07858 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
SCHEMBL6019682 0.91 FPR2 (0.56) FPR2FPR1CTSSCTSKCTSL
SCHEMBL6019803 0.91 FPR1 (0.65) FPR2FPR1CTSSCTSKSSTR3
SCHEMBL6021142 0.90 MAPT (0.53) FPR2FPR1MEN1MAPTKMT2A
SCHEMBL6020642 0.90 FPR2 (0.55) FPR2FPR1CTSSCTSKCTSL
SCHEMBL6020189 0.87 CTSS (0.57) FPR2CTSSCTSKCTSLCTSB
SCHEMBL6020288 0.85 FPR2 (0.56) FPR2FPR1CTSSCTSKCTSL
SCHEMBL6020414 0.85 FPR1 (0.47) FPR2FPR1MEN1MAPTKMT2A
SCHEMBL6020515 0.84 TACR2 (0.62) FPR2CTSSCTSLCTSB
SCHEMBL6021038 0.83 FPR2 (0.68) FPR2FPR1CTSSCTSKCTSL
SCHEMBL6020999 0.83 CTSL (0.49) FPR2FPR1MEN1MAPTKMT2A

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
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 3247/4885FPR1 3451/4885MEN1 4215/4885

“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.