SCHEMBL569579

SCHEMBL569579

COc1c(C(=O)O)cc2cc(Br)ccc2c1Br

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.54
RXFP1 Q9HBX9 5/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
GPR35 Q9HC97 2/20 0.46
GRIN2A Q12879 2/20 0.46
GRIN2B Q13224 2/20 0.46
GRIN2C Q14957 2/20 0.46
GRIN2D O15399 1/20 0.46
GRIN1 Q05586 1/20 0.45
NCEH1 Q6PIU2 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
GLA P06280 1/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 2/20 0.41

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
SCHEMBL3335356 0.88 L3MBTL1 (0.55) HSD17B10RXFP1MEN1KMT2AKDM4E
SCHEMBL2780177 0.84 KDM4E (0.58) HSD17B10RXFP1MEN1KMT2AKDM4E
SCHEMBL30382494 0.80 GRIN2A (0.68) HSD17B10RXFP1MEN1KMT2AKDM4E
SCHEMBL569949 0.80 GRIN2A (0.68) HSD17B10RXFP1MEN1KMT2AKDM4E
SCHEMBL3334375 0.80 GRIN2D (0.52) HSD17B10KDM4EALDH1A1HPGDGRIN2A
SCHEMBL570624 0.79 KDM4E (0.51) RXFP1MEN1KMT2AKDM4EALDH1A1
SCHEMBL9245071 0.79 GRIN2A (0.66) HSD17B10RXFP1MEN1KMT2AKDM4E
SCHEMBL358180 0.75 KDM4E (0.70) HSD17B10RXFP1MEN1KMT2AKDM4E
SCHEMBL3331957 0.75 KDM4E (0.51) HSD17B10RXFP1MEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL9736423 0.74 ALDH1A1 (0.68) HSD17B10RXFP1MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3002280-B1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS UNIV GREENWICH (GB) 2023-05-24 EP disclosed
US-9862691-B2 Cyclic triazo and diazo sodium channel blockers UNIVERSITY OF GREENWICH (GB) 2018-01-09 US disclosed
US-20160311784-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS UNIVERSITY OF GREENWICH (GB) 2016-10-27 US disclosed
US-9422253-B2 Cyclic triazo and diazo sodium channel blockers UNIVERSITY OF GREENWICH (GB) 2016-08-23 US disclosed
EP-3002280-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS University of Greenwich (GB) 2016-04-06 EP disclosed
EP-2229371-B1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS UNIV GREENWICH (GB) 2015-12-23 EP disclosed
US-20140155403-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS UNIVERSITY OF GREENWICH (GB) 2014-06-05 US disclosed
WO-2012019106-A2 POSITIVE AND NEGATIVE MODULATORS OF NMDA RECEPTORS BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2012-02-09 WO disclosed
US-20110009413-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS UNIVERSITY OF GREENWICH (GB) 2011-01-13 US disclosed
EP-2229371-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS University of Greenwich (GB) 2010-09-22 EP disclosed
WO-2009090431-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS UNIVERSITY OF GREENWICH (GB) 2009-07-23 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 (3 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-20140155403-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS SCN1A, SCN1B, SCN3A HSD17B10 2784/4885RXFP1 535/4885MEN1 1245/4885
US-20110009413-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS CACNA1E, SCN2B, SCN3A HSD17B10 4240/4885RXFP1 432/4885MEN1 664/4885
US-20160311784-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS SCN1A, SCN1B, SCN3A HSD17B10 2739/4885RXFP1 542/4885MEN1 1167/4885

“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.