SCHEMBL503126

SCHEMBL503126

COc1cc(-c2cnc(-c3cccc(Br)c3)nn2)cc(OC)c1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
HPGD P15428 3/20 0.43
HSD17B10 Q99714 2/20 0.43
TSHR P16473 2/20 0.43
LMNA P02545 1/20 0.43
PLK1 P53350 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
DHPS P49366 2/20 0.41
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
FYN P06241 4/20 0.40
PDE7A Q13946 1/20 0.40
PDE3A Q14432 1/20 0.40
PDE10A Q9Y233 1/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL9971217 0.91 CTDSP1 (0.47) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL2474963 0.84 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDSMN1; SMN2FYN
SCHEMBL9968554 0.84 KDM4E (0.43) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL14973723 0.83 KDM4E (0.47) ALDH1A1KDM4EHPGDGAASMN1; SMN2
SCHEMBL30102577 0.78 HDAC8 (0.52) GABRG2GABRB3GABRA5GABRA3ALDH1A1
SCHEMBL28965201 0.78 HDAC8 (0.52) GABRG2GABRB3GABRA5GABRA3ALDH1A1
SCHEMBL502772 0.76 FYN (0.47) GABRG2GABRB3GABRA5GABRA3PLK1
SCHEMBL2479831 0.74 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL15425095 0.73 MAPT (0.54) KDM4EHPGDTSHRLMNAGAA
SCHEMBL14983300 0.71 PDE3B (0.46) ALDH1A1KDM4EHPGDPDE3ANEK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293898-B2 Luminophores UNIVERSITY OF YORK (GB) 2012-10-23 US disclosed
US-8293898-B2 Luminophores UNIVERSITY OF YORK (GB) 2012-10-23 US disclosed
US-8293898-B2 Luminophores UNIVERSITY OF YORK (GB) 2012-10-23 US disclosed
US-20120157681-A1 LUMINOPHORES UNIVERSITY OF YORK (GB) 2012-06-21 US disclosed
US-20120157681-A1 LUMINOPHORES UNIVERSITY OF YORK (GB) 2012-06-21 US disclosed
US-20120157681-A1 LUMINOPHORES UNIVERSITY OF YORK (GB) 2012-06-21 US disclosed
US-8106193-B2 Luminophores UNIVERSITY OF YORK (GB) 2012-01-31 US disclosed
US-8106193-B2 Luminophores UNIVERSITY OF YORK (GB) 2012-01-31 US disclosed
US-8106193-B2 Luminophores UNIVERSITY OF YORK (GB) 2012-01-31 US disclosed
US-20100317851-A1 LUMINOPHORES UNIVERSITY OF YORK (GB) 2010-12-16 US disclosed
US-20100317851-A1 LUMINOPHORES UNIVERSITY OF YORK (GB) 2010-12-16 US disclosed
US-20100317851-A1 LUMINOPHORES UNIVERSITY OF YORK (GB) 2010-12-16 US disclosed
EP-2207784-A1 LUMINOPHORES University of York (GB) 2010-07-21 EP disclosed
WO-2009040551-A1 LUMINOPHORES UNIVERSITY OF YORK (GB) 2009-04-02 WO disclosed
WO-2009040551-A1 LUMINOPHORES UNIVERSITY OF YORK (GB) 2009-04-02 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 (2 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-20120157681-A1 LUMINOPHORES PPOX, CRY1, MPO GABRG2 3425/4885GABRB3 4231/4885GABRA5 4406/4885
US-20100317851-A1 LUMINOPHORES PPOX, CRY1, MPO GABRG2 3378/4885GABRB3 4064/4885GABRA5 4261/4885

“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.