SCHEMBL2529293

SCHEMBL2529293

COC(=O)c1cc(NC(=O)OCc2ccccc2)cc(C2OCCO2)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.47
MAOA P21397 3/20 0.47
MAOB P27338 2/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
TSHR P16473 1/20 0.47
RAB9A P51151 1/20 0.47
ATM Q13315 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 1/20 0.46
RCOR1 Q9UKL0 2/20 0.46
MGLL Q99685 1/20 0.46
KDM1B Q8NB78 1/20 0.45
POLB P06746 1/20 0.44

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
SCHEMBL4871235 0.81 KDM4E (0.56) NPC1ALDH1A1RAB9AKDM4EMGLL
SCHEMBL2529957 0.81 KDM4E (0.59) NPC1ALDH1A1RAB9AKDM4EMGLL
SCHEMBL2533431 0.79 KDM4E (0.55) ALDH1A1RAB9AKDM4EMGLLPOLB
SCHEMBL2529947 0.79 CREBBP (0.53) NPC1ALDH1A1TP53MAPTTSHR
SCHEMBL2533853 0.78 KDM4E (0.53) NPC1ALDH1A1RAB9AKDM4EMGLL
SCHEMBL2527618 0.78 KDM4E (0.53) ALDH1A1RAB9AKDM4EMGLLPOLB
SCHEMBL2529867 0.77 KDM4E (0.56) NPC1ALDH1A1RAB9AKDM4EMGLL
SCHEMBL2531101 0.77 KDM4E (0.51) NPC1ALDH1A1RAB9AKDM4EMGLL
SCHEMBL14525228 0.76 NR1H4 (0.46) TP53MAPTKDM4EMGLLPOLB
SCHEMBL4878443 0.76 MGLL (0.57) ALDH1A1RAB9AKDM4EMGLLPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8039455-B2 Macrocyclic compounds useful as BACE inhibitors NOVARTIS AG (CH) 2011-10-18 US disclosed
US-20090029960-A1 MACROCYCLIC COMPOUNDS USEFUL AS BASE INHIBITORS NOVARTIS AG (CH) 2009-01-29 US disclosed
EP-1968954-A1 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS Novartis AG (CH) 2008-09-17 EP disclosed
WO-2007077004-A1 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS NOVARTIS AG (CH) 2007-07-12 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-20090029960-A1 MACROCYCLIC COMPOUNDS USEFUL AS BASE INHIBITORS SLC10A2, SLC10A1, ASAH2 KDM1A 4182/4885MAOA 1001/4885MAOB 825/4885

“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.