SCHEMBL2070184

SCHEMBL2070184

C=COC(=O)CCN(CC)c1ccc(N=Nc2ncc([N+](=O)[O-])s2)c(C)c1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 1/20 0.59
▸ ATG4B Q9Y4P1 1/20 0.32
▸ LMNA P02545 3/20 0.31
▸ MEN1 O00255 3/20 0.31
▸ MAPT P10636 3/20 0.31
▸ KMT2A Q03164 3/20 0.31
▸ POLB P06746 2/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ MMP14 P50281 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ STAT3 P40763 1/20 0.30
▸ ALDH1A1 P00352 2/20 0.30
▸ HPGD P15428 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ RXFP1 Q9HBX9 1/20 0.30

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
SCHEMBL2070182 1.00 KDR (0.59) KDRATG4BLMNAMEN1MAPT
SCHEMBL29482612 0.84 KDR (0.68) KDRATG4BLMNAMEN1MAPT
SCHEMBL2360952 0.84 KDR (0.68) KDRATG4BLMNAMEN1MAPT
SCHEMBL2360954 0.84 KDR (0.68) KDRATG4BLMNAMEN1MAPT
SCHEMBL17038721 0.84 KDR (0.73) KDRATG4BLMNAMEN1MAPT
SCHEMBL29356197 0.84 KDR (0.73) KDRATG4BLMNAMEN1MAPT
SCHEMBL25292441 0.83 KDR (0.62) KDRATG4BLMNAMEN1MAPT
SCHEMBL30341070 0.83 KDR (0.62) KDRATG4BLMNAMEN1MAPT
SCHEMBL15279878 0.82 KDR (0.61) KDRATG4BLMNAMEN1MAPT
SCHEMBL2769405 0.79 KDR (0.63) KDRLMNAMEN1MAPTKMT2A

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 KDR 535/4885ATG4B 2390/4885LMNA 4139/4885

“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.

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