SCHEMBL449668

SCHEMBL449668

CC1(C)CCc2cnc(-c3cccc(Cl)c3)cc2C12NC(=O)NC2=O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PGR P06401 10/20 0.39
KDM5B Q9UGL1 1/20 0.35
BACE1 P56817 1/20 0.35
MAPKAPK2 P49137 1/20 0.35
TDP2 O95551 2/20 0.34
PARP10 Q53GL7 1/20 0.34
PARP11 Q9NR21 1/20 0.34
IDO1 P14902 1/20 0.33
AKR1B1 P15121 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33

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
SCHEMBL446490 0.85 BACE1 (0.38) PGRKDM5BBACE1MAPKAPK2
SCHEMBL449840 0.82 BACE1 (0.42) BACE1MAPKAPK2
SCHEMBL2552657 0.73 PGR (0.39) PGRKDM5BBACE1MAPKAPK2TDP2
SCHEMBL446794 0.73 BACE1 (0.39) PGRBACE1AKR1B1
SCHEMBL429255 0.73 BACE1 (0.57) BACE1
SCHEMBL448377 0.72 PGR (0.45) PGRKDM5BMAPKAPK2TDP2PARP10
SCHEMBL445570 0.71 BACE1 (0.37) PGRBACE1MAPKAPK2
SCHEMBL2554654 0.71 PGR (0.38) PGRKDM5BBACE1TDP2AKR1B1
SCHEMBL427954 0.68 BACE1 (0.53) BACE1
SCHEMBL448434 0.64 MAOB (0.46) PGRKDM5BMAPKAPK2PARP10PARP11

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 3400/4885KDM5B 4530/4885BACE1 2/4885

“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.