SCHEMBL4159358

SCHEMBL4159358

CCCCOC(=O)CCc1ccc2nc3ccccc3c(N)c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
TOP2A P11388 4/20 0.48
KDM4E B2RXH2 2/20 0.48
TLR7 Q9NYK1 1/20 0.48
GAA P10253 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
USP2 O75604 1/20 0.45
GLA P06280 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ITGB1 P05556 1/20 0.44
ITGA4 P13612 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
APP P05067 1/20 0.43
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42

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
SCHEMBL4162331 0.81 RAB9A (0.43) ALDH1A1TOP2AKDM4EGAAUSP2
SCHEMBL13696902 0.80 ALDH1A1 (0.49) ALDH1A1KDM4EGAAUSP2GLA
SCHEMBL4149713 0.80 KDM4E (0.51) ALDH1A1KDM4EGAAGLACYP3A4
SCHEMBL13696992 0.79 HSD17B10 (0.50) ALDH1A1KDM4EGAAUSP2GLA
SCHEMBL15624437 0.78 KDM4E (0.56) ALDH1A1KDM4ETLR7GAAUSP2
SCHEMBL13696899 0.77 HIF1A (0.49) ALDH1A1TOP2AKDM4EGAAGLA
SCHEMBL10007438 0.75 TDP1 (0.77) ALDH1A1KDM4EL3MBTL1CYP3A4MAPT
SCHEMBL4163816 0.75 PSMB8 (0.39) ALDH1A1KDM4EGAAGLACYP3A4
SCHEMBL14540241 0.73 TDP1 (0.63) ALDH1A1L3MBTL1TDP1APP
SCHEMBL10900609 0.73 LMNA (0.58) ALDH1A1GAAL3MBTL1CYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9127164-B2 Fluorescent dyes and uses thereof ALMAC SCIENCES (SCOTLAND) LIMITED (GB) 2015-09-08 US disclosed
EP-1940965-B1 NOVEL FLUORESCENT DYES AND USES THEREOF ALMAC SCIENCES SCOTLAND LTD (GB) 2014-03-26 EP disclosed
US-20090226940-A1 NOVEL FLUORESCENT DYES AND USES THEREOF ITI SCOTLAND LIMITED (GB) 2009-09-10 US 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-20090226940-A1 NOVEL FLUORESCENT DYES AND USES THEREOF ACR, ANXA5, GLB1 ALDH1A1 97/4885TOP2A 2875/4885KDM4E 4255/4885

“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.