SCHEMBL2069440

SCHEMBL2069440

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ NOX1 Q9Y5S8 1/20 0.39
▸ TSHR P16473 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ GLA P06280 2/20 0.38
▸ NPY1R P25929 1/20 0.38
▸ NPY2R P49146 1/20 0.38
▸ CNR2 P34972 3/20 0.37
▸ CHRNB2 P17787 1/20 0.35
▸ CHRNB4 P30926 1/20 0.35
▸ CHRNA3 P32297 1/20 0.35
▸ CHRNA4 P43681 1/20 0.35
▸ ESRRG P62508 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ PGR P06401 1/20 0.35

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
Acetic Acid SCHEMBL27763789 0.97 MEN1 (0.38) MEN1KMT2ANPC1RAB9ANOX1
SCHEMBL27763792 0.85 MEN1 (0.38) MEN1KMT2ANPC1RAB9ANOX1
SCHEMBL2035271 0.78 MEN1 (0.40) MEN1KMT2ANPC1RAB9ANOX1
SCHEMBL2069787 0.77 SMN1; SMN2 (0.41) MEN1KMT2ANPC1RAB9ANOX1
SCHEMBL2070017 0.75 USP2 (0.41) MEN1KMT2ANPC1RAB9ANOX1
SCHEMBL1501500 0.75 SMN1; SMN2 (0.43) MEN1KMT2ANPC1RAB9ANOX1
SCHEMBL8076531 0.73 HPGD (0.47) MEN1KMT2ANPC1RAB9ATSHR
SCHEMBL28009400 0.72 MEN1 (0.42) MEN1KMT2ANPC1RAB9ANOX1
SCHEMBL11826491 0.71 SCN1A (0.44) MEN1KMT2ANPC1RAB9ANOX1
SCHEMBL12265113 0.71 THRB (0.46) MEN1KMT2ANPC1RAB9ANOX1

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 MEN1 3613/4885KMT2A 848/4885NPC1 3543/4885

“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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