SCHEMBL4149713

SCHEMBL4149713

Nc1c2ccccc2nc2ccc(CCC(=O)O)cc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
HSD17B10 Q99714 3/20 0.51
ALDH1A1 P00352 2/20 0.51
GLA P06280 2/20 0.51
HPGD P15428 2/20 0.51
CASP1 P29466 2/20 0.51
CASP7 P55210 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
CHRM2 P08172 1/20 0.51
ADRA2A P08913 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
CHRM1 P11229 1/20 0.51
NQO2 P16083 1/20 0.51
MAOA P21397 1/20 0.51
DRD1 P21728 1/20 0.51
ACHE P22303 1/20 0.51
SLC6A2 P23975 1/20 0.51
ADRA1A P35348 1/20 0.51
OPRM1 P35372 1/20 0.51
KCNH2 Q12809 1/20 0.51

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
SCHEMBL13696992 0.90 HSD17B10 (0.50) KDM4EHSD17B10ALDH1A1GLAHPGD
SCHEMBL13696902 0.89 ALDH1A1 (0.49) KDM4EHSD17B10ALDH1A1GLAHPGD
SCHEMBL13696899 0.85 HIF1A (0.49) KDM4EHSD17B10ALDH1A1GLAHPGD
SCHEMBL9424806 0.83 CYP1A2 (0.50) KDM4EHSD17B10ALDH1A1GLAHPGD
SCHEMBL15056794 0.83 CYP1A2 (0.50) KDM4ETDP1CYP1A2CYP2D6CYP2C19
SCHEMBL4618505 0.83 CYP1A2 (0.50) KDM4EHSD17B10ALDH1A1HPGDCYP1A2
SCHEMBL4162331 0.82 RAB9A (0.43) KDM4EHSD17B10ALDH1A1GLAHPGD
SCHEMBL4163106 0.81 KDM4E (0.53) KDM4EHSD17B10ALDH1A1GLAHPGD
SCHEMBL15624437 0.81 KDM4E (0.56) KDM4EHSD17B10ALDH1A1GLAHPGD
SCHEMBL4605568 0.80 ALDH1A1 (0.51) KDM4EHSD17B10ALDH1A1GLAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2689024-B1 ENZYME ASSAYS ALMAC SCIENCES SCOTLAND LTD (GB) 2016-01-13 EP disclosed
US-9127164-B2 Fluorescent dyes and uses thereof ALMAC SCIENCES (SCOTLAND) LIMITED (GB) 2015-09-08 US disclosed
US-9127164-B2 Fluorescent dyes and uses thereof ALMAC SCIENCES (SCOTLAND) LIMITED (GB) 2015-09-08 US disclosed
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
EP-1940965-B1 NOVEL FLUORESCENT DYES AND USES THEREOF ALMAC SCIENCES SCOTLAND LTD (GB) 2014-03-26 EP disclosed
US-20140080162-A1 FLUORESCENCE LIFETIME EPIGENETICS ASSAYS ALMAC SCIENCES (SCOTLAND) LIMITED (GB) 2014-03-20 US disclosed
EP-2689024-A2 ENZYME ASSAYS Almac Sciences (Scotland) Limited (GB) 2014-01-29 EP disclosed
CN-103476944-A Enzyme assays ALMAC SCIENCES SCOTLAND LTD 2013-12-25 CN disclosed
WO-2012131345-A2 ENZYME ASSAYS ALMAC SCIENCES (SCOTLAND) LIMITED (GB) 2012-10-04 WO disclosed
US-20090226940-A1 NOVEL FLUORESCENT DYES AND USES THEREOF ITI SCOTLAND LIMITED (GB) 2009-09-10 US disclosed
US-20090226940-A1 NOVEL FLUORESCENT DYES AND USES THEREOF ITI SCOTLAND LIMITED (GB) 2009-09-10 US disclosed
US-20090226940-A1 NOVEL FLUORESCENT DYES AND USES THEREOF ITI SCOTLAND LIMITED (GB) 2009-09-10 US disclosed
EP-1940965-A2 NOVEL FLUORESCENT DYES AND USES THEREOF ITI Scotland Limited (GB) 2008-07-09 EP disclosed
WO-2007049057-A2 NOVEL FLUORESCENT DYES AND USES THEREOF ITI SCOTLAND LIMITED (GB) 2007-05-03 WO disclosed
WO-2007049057-A2 NOVEL FLUORESCENT DYES AND USES THEREOF ITI SCOTLAND LIMITED (GB) 2007-05-03 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-20090226940-A1 NOVEL FLUORESCENT DYES AND USES THEREOF ACR, ANXA5, GLB1 KDM4E 4255/4885HSD17B10 1965/4885ALDH1A1 97/4885

“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.