SCHEMBL3397273

SCHEMBL3397273

COC(=O)c1cc2cc(-c3cc4ccccc4o3)ccc2c(Br)c1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.51
ALDH1A1 P00352 3/20 0.51
HPGD P15428 2/20 0.51
NPSR1 Q6W5P4 1/20 0.48
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
NFKB1 P19838 1/20 0.46
NPY1R P25929 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ATM Q13315 1/20 0.44
MAOB P27338 2/20 0.44
TNKS O95271 1/20 0.43
MAOA P21397 1/20 0.42
ALOX5 P09917 1/20 0.42
ERN1 O75460 1/20 0.41
SLC6A3 Q01959 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
SCHEMBL3362363 0.91 GRIN2D (0.48) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL13302181 0.79 GRIN2D (0.49) KDM4EALDH1A1NPC1RAB9AMEN1
SCHEMBL13302399 0.77 GRIN2D (0.67) KDM4EALDH1A1NPC1RAB9AMEN1
SCHEMBL13302179 0.76 ALDH1A1 (0.48) KDM4EALDH1A1HPGDNPSR1NPC1
SCHEMBL13302182 0.76 CYP11B1 (0.50) KDM4EALDH1A1HPGDNPSR1NPC1
SCHEMBL3331012 0.76 CYP19A1 (0.52) KDM4EALDH1A1HPGDRAB9AMEN1
SCHEMBL3332506 0.75 ABL1 (0.47) KDM4EALDH1A1HPGDNPSR1MEN1
SCHEMBL3335356 0.74 L3MBTL1 (0.55) KDM4EALDH1A1HPGDNPSR1MEN1
SCHEMBL3334695 0.73 KDM4E (0.44) KDM4EALDH1A1HPGDNPSR1NPC1
SCHEMBL3981377 0.73 TNKS (0.69) KDM4EALDH1A1HPGDNPC1RAB9A

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 9 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-8362066-B2 Compounds and methods for treating protein folding disorders TREVENTIS CORPORATION (US) 2013-01-29 US disclosed
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
US-20100144821-A1 COMPOUNDS AND METHODS FOR TREATING PROTEIN FOLDING DISORDERS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2010-06-10 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 KDM4E 1608/4885ALDH1A1 3687/4885HPGD 3804/4885

“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.