SCHEMBL9268493

SCHEMBL9268493

COc1ccc(C(=O)NC2CCN(c3ccc(-n4cnc(C)c4)c(OC)c3)C2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.48
PSEN1 P49768 13/20 0.45
PSEN2 P49810 13/20 0.45
APH1B Q8WW43 13/20 0.45
NCSTN Q92542 13/20 0.45
APH1A Q96BI3 13/20 0.45
PSENEN Q9NZ42 13/20 0.45
HPGDS O60760 1/20 0.43
F10 P00742 1/20 0.42
KCNH2 Q12809 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
SCHEMBL8819332 0.92 PSEN1 (0.54) ROCK2PSEN1PSEN2APH1BNCSTN
SCHEMBL9265915 0.91 PSEN1 (0.51) ROCK2PSEN1PSEN2APH1BNCSTN
SCHEMBL9268486 0.91 PSEN1 (0.52) ROCK2PSEN1PSEN2APH1BNCSTN
SCHEMBL9266846 0.91 PSEN1 (0.53) ROCK2PSEN1PSEN2APH1BNCSTN
SCHEMBL9265917 0.91 PSEN1 (0.44) ROCK2PSEN1PSEN2APH1BNCSTN
SCHEMBL9263538 0.91 ROCK2 (0.60) ROCK2PSEN1PSEN2APH1BNCSTN
SCHEMBL9263526 0.89 PSEN1 (0.49) ROCK2PSEN1PSEN2APH1BNCSTN
SCHEMBL9263078 0.89 PSEN1 (0.49) ROCK2PSEN1PSEN2APH1BNCSTN
SCHEMBL9268480 0.89 PSEN1 (0.48) ROCK2PSEN1PSEN2APH1BNCSTN
SCHEMBL9268576 0.89 PSEN1 (0.49) ROCK2PSEN1PSEN2APH1BNCSTN

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-20120135997-A1 PHARMACEUTICAL COMPOSITION COMPRISING A LACTAM OR BENZENESULFONAMIDE COMPOUND SHIONOGI & CO., LTD. (JP) 2012-05-31 US disclosed
US-20120135997-A1 PHARMACEUTICAL COMPOSITION COMPRISING A LACTAM OR BENZENESULFONAMIDE COMPOUND SHIONOGI & CO., LTD. (JP) 2012-05-31 US 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-20120135997-A1 PHARMACEUTICAL COMPOSITION COMPRISING A LACTAM OR BENZENESULFONAMIDE COMPOUND BACE1, STS, APP ROCK2 4864/4885PSEN1 9/4885PSEN2 20/4885

“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.