SCHEMBL448434

SCHEMBL448434

O=C1CCCc2cnc(-c3cccc(Cl)c3)cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.46
MAOA P21397 5/20 0.46
GRM5 P41594 2/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
PARP10 Q53GL7 1/20 0.43
PARP11 Q9NR21 1/20 0.43
MAPKAPK2 P49137 1/20 0.43
KDM1A O60341 1/20 0.42
KMO O15229 1/20 0.42
IDO1 P14902 1/20 0.40
CNR2 P34972 1/20 0.40
PGR P06401 1/20 0.40
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CYP2A6 P11509 1/20 0.39
PRKCI P41743 1/20 0.39
SRC P12931 1/20 0.39
KDM5B Q9UGL1 1/20 0.39

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
SCHEMBL4563338 0.77 PARP10 (0.61) MAOBMAOAGRM5KDM4EALDH1A1
SCHEMBL448377 0.76 PGR (0.45) MAOBGRM5PARP10PARP11MAPKAPK2
SCHEMBL8246660 0.75 GRM5 (0.51) MAOBMAOAGRM5KDM4EALDH1A1
SCHEMBL426432 0.74 MAOA (0.44) MAOBMAOAGRM5CYP2A6PRKCI
SCHEMBL1998628 0.70 MAOA (0.59) MAOBMAOAKDM4EPARP10CYP2A6
SCHEMBL29673182 0.70 MAOA (0.59) MAOBMAOAKDM4EPARP10CYP2A6
SCHEMBL2552657 0.69 PGR (0.39) GRM5MAPKAPK2PGRKDM5B
SCHEMBL446794 0.69 BACE1 (0.39) GRM5PGR
SCHEMBL30583981 0.69 GRM5 (0.54) MAOBMAOAGRM5KDM4EALDH1A1
SCHEMBL1811571 0.69 PARP10 (0.48) MAOBMAOAGRM5KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065195-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. 2012-03-15 US disclosed
WO-2011123674-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. (US) 2011-10-06 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-20120065195-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES APP, BACE1, PSEN1 MAOB 781/4885MAOA 849/4885GRM5 1812/4885

“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.