SCHEMBL2070679

SCHEMBL2070679

CCN(CCC(=O)O)c1ccc(/N=N/c2sc([N+](=O)[O-])cc2[N+](=O)[O-])cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP14 P50281 1/20 0.45
MAPT P10636 11/20 0.41
KMT2A Q03164 8/20 0.41
ALDH1A1 P00352 7/20 0.41
MEN1 O00255 7/20 0.41
L3MBTL1 Q9Y468 4/20 0.41
LMNA P02545 4/20 0.41
KDM4E B2RXH2 3/20 0.41
THRB P10828 2/20 0.41
PTBP1 P26599 1/20 0.41
MAPK1 P28482 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
TDP1 Q9NUW8 3/20 0.39
ALPL P05186 1/20 0.39
ALPI P09923 1/20 0.39
ALPG P10696 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 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
SCHEMBL2070680 1.00 MMP14 (0.45) MMP14MAPTKMT2AALDH1A1MEN1
SCHEMBL2069243 0.86 MAPT (0.39) MMP14MAPTKMT2AALDH1A1MEN1
SCHEMBL2069245 0.86 MAPT (0.39) MMP14MAPTKMT2AALDH1A1MEN1
SCHEMBL1098885 0.82 ALDH1A1 (0.44) MMP14MAPTKMT2AALDH1A1MEN1
SCHEMBL1098887 0.82 ALDH1A1 (0.44) MMP14MAPTKMT2AALDH1A1MEN1
SCHEMBL14438699 0.81 MMP14 (0.40) MMP14MAPTKMT2AALDH1A1MEN1
SCHEMBL13758753 0.81 MMP14 (0.66) MMP14MAPTKMT2AALDH1A1MEN1
SCHEMBL15693775 0.80 MMP14 (0.35) MMP14MAPTKMT2AALDH1A1MEN1
SCHEMBL12776704 0.80 MAPT (0.37) MMP14MAPTKMT2AALDH1A1MEN1
SCHEMBL10332484 0.79 MAPT (0.43) MAPTKMT2AALDH1A1MEN1L3MBTL1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2084232-B1 DISPERSE AZO DYESTUFFS DYSTAR COLOURS DISTRIB GMBH (DE) 2012-08-15 EP disclosed
US-7871446-B2 Disperse azo dyestuffs DyStar Colours Deutschland KG (DE) 2011-01-18 US disclosed
US-20100009081-A1 3-{[4-(2-Chloro-4-nitrophenylazo)-phenyl]-ethyl-amino}-2-methyl-propionic acid vinyl ester; ink jet printing; dyeing and printing of synthetic textile material and fiber blends; dyeings on polyester with improved washfastness properties obtained if dyestuffs contain a vinyl ester group in coupling DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND (DE) 2010-01-14 US disclosed
EP-2084232-A1 DISPERSE AZO DYESTUFFS DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 2009-08-05 EP disclosed
WO-2008055846-A1 DISPERSE AZO DYESTUFFS DYSTAR TEXTILFARBEN GMBH & CO DEUTSCHLAND KG (DE) 2008-05-15 WO 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-20100009081-A1 3-{[4-(2-Chloro-4-nitrophenylazo)-phenyl]-ethyl-amino}-2-methyl-propionic acid vinyl ester; ink jet printing; dyeing and printing of synthetic textile material and fiber blends; dyeings on polyester with improved washfastness properties obtained if dyestuffs contain a vinyl ester group in coupling WDR77, PRMT7, CBR3 MMP14 4397/4885MAPT 2782/4885KMT2A 848/4885

“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.