SCHEMBL448377

SCHEMBL448377

CC1(C)CCc2cnc(-c3cccc(Cl)c3)cc2C1=O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PGR P06401 5/20 0.45
MAPKAPK2 P49137 3/20 0.40
PARP10 Q53GL7 1/20 0.40
PARP11 Q9NR21 1/20 0.40
MAOB P27338 2/20 0.39
KDM1A O60341 1/20 0.39
KMO O15229 1/20 0.39
GRM5 P41594 2/20 0.38
TDP2 O95551 2/20 0.37
IDO1 P14902 1/20 0.37
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
STK4 Q13043 1/20 0.36
STK3 Q13188 1/20 0.36
KDM5B Q9UGL1 1/20 0.36

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
SCHEMBL13706912 0.78 PGR (0.48) PGRPARP10PARP11MAOBKMO
SCHEMBL448434 0.76 MAOB (0.46) PGRMAPKAPK2PARP10PARP11MAOB
SCHEMBL449668 0.72 PGR (0.39) PGRMAPKAPK2PARP10PARP11TDP2
SCHEMBL446490 0.72 BACE1 (0.38) PGRMAPKAPK2GRM5KDM5B
SCHEMBL9587877 0.70 HTR2A (0.46)
SCHEMBL429255 0.70 BACE1 (0.57)
SCHEMBL1811500 0.70 PGR (0.45) PGRMAPKAPK2PARP10PARP11MAOB
SCHEMBL449840 0.69 BACE1 (0.42) MAPKAPK2GRM5
SCHEMBL446794 0.68 BACE1 (0.39) PGRGRM5
SCHEMBL2552657 0.68 PGR (0.39) PGRMAPKAPK2GRM5TDP2KDM5B

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 PGR 3400/4885MAPKAPK2 1300/4885PARP10 607/4885

“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.