SCHEMBL2068905

SCHEMBL2068905

C=COC(=O)CCN(CC)c1cccc(C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GFER P55789 2/20 0.45
▸ ALDH1A1 P00352 7/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ NPSR1 Q6W5P4 3/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ MAPT P10636 8/20 0.41
▸ LMNA P02545 5/20 0.41
▸ USP2 O75604 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ HTT P42858 3/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ TP53 P04637 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ HPGD P15428 3/20 0.39
▸ TSHR P16473 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38

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
SCHEMBL2069787 0.85 SMN1; SMN2 (0.41) GFERALDH1A1MEN1KMT2AKDM4E
SCHEMBL11506912 0.84 SMN1; SMN2 (0.50) GFERALDH1A1MEN1KMT2ANPSR1
SCHEMBL11417448 0.84 GFER (0.51) GFERALDH1A1MEN1KMT2ANPSR1
SCHEMBL11136662 0.82 GFER (0.46) GFERALDH1A1MEN1KMT2ANPSR1
SCHEMBL397442 0.79 GFER (0.54) GFERALDH1A1MEN1KMT2ANPSR1
SCHEMBL8055680 0.79 GFER (0.44) GFERALDH1A1MEN1KMT2ANPSR1
SCHEMBL8048343 0.79 GFER (0.44) GFERALDH1A1MEN1KMT2ANPSR1
Hydrochloric Acid SCHEMBL11594933 0.78 GFER (0.53) GFERALDH1A1MEN1KMT2ANPSR1
SCHEMBL9654341 0.78 SMN1; SMN2 (0.52) GFERALDH1A1MEN1KMT2AMAPT
SCHEMBL10784602 0.78 ALDH1A1 (0.47) GFERALDH1A1MEN1KMT2ANPSR1

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 GFER 693/4885ALDH1A1 929/4885MEN1 3613/4885

“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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