SCHEMBL4528949

SCHEMBL4528949

CC(C)(C)N(C(=O)O)C(C(=O)Nc1ccc(-c2ccncc2)cc1)c1ccco1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.42
PSEN1 P49768 3/20 0.41
PSEN2 P49810 3/20 0.41
APH1B Q8WW43 3/20 0.41
NCSTN Q92542 3/20 0.41
APH1A Q96BI3 3/20 0.41
PSENEN Q9NZ42 3/20 0.41
TAAR1 Q96RJ0 2/20 0.40
ROCK2 O75116 6/20 0.38
ROCK1 Q13464 6/20 0.38
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
PTPN6 P29350 1/20 0.38
PTPN11 Q06124 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL4532143 0.84 ROCK2 (0.48) AAK1PSEN1PSEN2APH1BNCSTN
SCHEMBL4519493 0.84 ROCK2 (0.48) AAK1PSEN1PSEN2APH1BNCSTN
SCHEMBL4522592 0.80 AAK1 (0.41) AAK1PSEN1PSEN2APH1BNCSTN
SCHEMBL4525125 0.80 HDAC4 (0.47) AAK1PSEN1PSEN2APH1BNCSTN
SCHEMBL4517728 0.79 MMP2 (0.43) AAK1PSEN1PSEN2APH1BNCSTN
SCHEMBL28776452 0.79 AAK1 (0.52) AAK1PSEN1PSEN2APH1BNCSTN
SCHEMBL4528048 0.79 ROCK2 (0.45) AAK1ROCK2ROCK1MAPTLMNA
SCHEMBL4525931 0.76 ROCK2 (0.53) AAK1ROCK2ROCK1ALDH1A1NPC1
SCHEMBL4525453 0.76 ROCK2 (0.53) AAK1ROCK2ROCK1ALDH1A1NPC1
SCHEMBL4529035 0.75 AAK1 (0.53) AAK1PSEN1PSEN2APH1BNCSTN

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-8211919-B2 Amide derivatives as rock inhibitors ASTELLAS PHARMA INC. (JP) 2012-07-03 US disclosed
US-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2009-04-23 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-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ROCK1, ROCK2, RHOA AAK1 736/4885PSEN1 3035/4885PSEN2 2849/4885

“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.