SCHEMBL2069787

SCHEMBL2069787

C=COC(=O)CCN(CC)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
NOX1 Q9Y5S8 2/20 0.41
TSHR P16473 3/20 0.40
ALDH1A1 P00352 3/20 0.40
GLA P06280 1/20 0.40
TP53 P04637 1/20 0.40
GFER P55789 1/20 0.37
ESRRG P62508 1/20 0.36
CNR2 P34972 1/20 0.36
HSD11B1 P28845 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL2070017 0.92 USP2 (0.41) SMN1; SMN2MEN1KMT2AGAAMAPT
SCHEMBL1501500 0.91 SMN1; SMN2 (0.43) SMN1; SMN2MEN1KMT2AGAAMAPT
SCHEMBL2068905 0.85 GFER (0.45) SMN1; SMN2MEN1KMT2AGAAMAPT
SCHEMBL7038319 0.81 MEN1 (0.49) SMN1; SMN2MEN1KMT2AGAAMAPT
SCHEMBL8035941 0.80 SMN1; SMN2 (0.63) SMN1; SMN2MEN1KMT2AGAAMAPT
SCHEMBL8543627 0.79 SMN1; SMN2 (0.41) SMN1; SMN2MEN1KMT2AGAAMAPT
SCHEMBL11212465 0.79 TDP1 (0.45) SMN1; SMN2MEN1KMT2AGAAMAPT
SCHEMBL27540372 0.78 SMN1; SMN2 (0.42) SMN1; SMN2MEN1KMT2AGAAMAPT
SCHEMBL8018555 0.77 KMT2A (0.54) SMN1; SMN2MEN1KMT2AGAAMAPT
SCHEMBL2069440 0.77 MEN1 (0.40) MEN1KMT2AGAAMAPTNPC1

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 SMN1; SMN2 2776/4885MEN1 3613/4885KMT2A 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.