SCHEMBL6019679

SCHEMBL6019679

CCN(C#N)C(=O)C(Cc1ccc(O)cc1)NC(=O)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 4/20 0.47
FPR1 P21462 3/20 0.47
MMP1 P03956 1/20 0.42
MMP3 P08254 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
HTT P42858 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
CHRM3 P20309 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
POLB P06746 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PTGES O14684 1/20 0.39
SSTR3 P32745 1/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL6020927 0.91 FPR2 (0.52) FPR2FPR1MEN1KMT2AHTT
SCHEMBL6019294 0.91 CA1 (0.47) FPR2FPR1MEN1KMT2AHTT
SCHEMBL6020637 0.87 TACR1 (0.50) FPR2FPR1MEN1KMT2AHTT
SCHEMBL6020437 0.86 FPR2 (0.52) FPR2FPR1CHRM3
SCHEMBL6019512 0.85 CTSL (0.50) FPR2FPR1CTSLCTSBCTSS
SCHEMBL6020406 0.85 MEN1 (0.46) FPR2FPR1MEN1KMT2AHTT
SCHEMBL6020374 0.83 FPR2 (0.53) FPR2FPR1MEN1KMT2ACTSL
SCHEMBL6019634 0.82 KMT2A (0.43) MEN1KMT2AHTTNPSR1CTSB
SCHEMBL6021240 0.82 CTSL (0.49) FPR2FPR1CTSLCTSBCTSS
SCHEMBL6021135 0.82 ALDH1A1 (0.47) FPR2FPR1MEN1KMT2AHTT

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 9 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-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 3451/4885MMP1 3281/4885

“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.