SCHEMBL3334375

SCHEMBL3334375

COc1ccc2cc(-c3ccc4c(Br)c(OC)c(C(=O)O)cc4c3)ccc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.52
GRIN2A Q12879 1/20 0.52
GRIN2B Q13224 1/20 0.52
GRIN2C Q14957 1/20 0.52
KDM4E B2RXH2 7/20 0.52
ALDH1A1 P00352 5/20 0.52
HPGD P15428 4/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
NPC1 O15118 1/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
NFKB1 P19838 1/20 0.52
RAB9A P51151 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
ATM Q13315 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
HSD17B1 P14061 3/20 0.46
HSD17B2 P37059 3/20 0.46
POLB P06746 2/20 0.46

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
SCHEMBL13302182 0.90 CYP11B1 (0.50) KDM4EALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL569579 0.80 HSD17B10 (0.54) GRIN2DGRIN2AGRIN2BGRIN2CKDM4E
SCHEMBL3331957 0.79 KDM4E (0.51) GRIN2DGRIN2AGRIN2BGRIN2CKDM4E
SCHEMBL3332506 0.78 ABL1 (0.47) GRIN2DGRIN2AGRIN2BGRIN2CKDM4E
SCHEMBL2780177 0.77 KDM4E (0.58) GRIN2DGRIN2AGRIN2BGRIN2CKDM4E
SCHEMBL1180172 0.74 KDM4E (0.53) KDM4EALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL3362363 0.74 GRIN2D (0.48) GRIN2DGRIN2AGRIN2BGRIN2CKDM4E
SCHEMBL13302177 0.74 GRIN2D (0.53) GRIN2DGRIN2AGRIN2BGRIN2CKDM4E
SCHEMBL978583 0.73 KDM4E (0.72) KDM4EALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL5042258 0.73 KDM4E (0.74) KDM4EHSD17B1HSD17B2CA1CA2

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
US-8362066-B2 Compounds and methods for treating protein folding disorders TREVENTIS CORPORATION (US) 2013-01-29 US disclosed
US-20100144821-A1 COMPOUNDS AND METHODS FOR TREATING PROTEIN FOLDING DISORDERS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2010-06-10 US disclosed
EP-2081892-A1 COMPOUNDS AND METHODS FOR TREATING PROTEIN FOLDING DISORDERS Queen's University at Kingston (CA) 2009-07-29 EP disclosed
WO-2008058402-A1 COMPOUNDS AND METHODS FOR TREATING PROTEIN FOLDING DISORDERS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2008-05-22 WO disclosed
WO-2008058402-A1 COMPOUNDS AND METHODS FOR TREATING PROTEIN FOLDING DISORDERS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2008-05-22 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-20100144821-A1 COMPOUNDS AND METHODS FOR TREATING PROTEIN FOLDING DISORDERS SNCA, MAPT, APP GRIN2D 4560/4885GRIN2A 4083/4885GRIN2B 4399/4885

“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.