SCHEMBL4525615

SCHEMBL4525615

CC(C)(C)c1cccc(NC(=O)O)c1CC(=O)Nc1ccc(-c2ccncc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 3/20 0.44
PSEN1 P49768 2/20 0.43
PSEN2 P49810 2/20 0.43
APH1B Q8WW43 2/20 0.43
NCSTN Q92542 2/20 0.43
APH1A Q96BI3 2/20 0.43
PSENEN Q9NZ42 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
RAB9A P51151 2/20 0.41
CYP2D6 P10635 1/20 0.41
ROCK2 O75116 3/20 0.41
ROCK1 Q13464 3/20 0.41
PORCN Q9H237 1/20 0.41
PTK2 Q05397 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
NPC1 O15118 1/20 0.39
CYP17A1 P05093 1/20 0.39
P2RY1 P47900 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
SCHEMBL4520975 0.77 ROCK2 (0.53) WNT3ASMN1; SMN2RAB9ACYP2D6ROCK2
SCHEMBL4521891 0.75 CYP11B2 (0.48) MEN1KMT2A
SCHEMBL4525619 0.72 ROCK2 (0.44) WNT3ASMN1; SMN2RAB9AROCK2ROCK1
SCHEMBL4516268 0.70 ROCK2 (0.57) SMN1; SMN2RAB9AROCK2ROCK1MEN1
SCHEMBL1974014 0.69 ALDH1A1 (0.44) SMN1; SMN2KMT2A
SCHEMBL77844 0.69 ALDH1A1 (0.41) MEN1KMT2AP2RY1
SCHEMBL19827071 0.69 MEN1 (0.73) WNT3ASMN1; SMN2RAB9AROCK2ROCK1
SCHEMBL4631344 0.68 NOTUM (0.67) ROCK2ROCK1PORCNMEN1KMT2A
SCHEMBL11181809 0.68 TP53 (0.58) SMN1; SMN2RAB9AROCK2ROCK1MEN1
SCHEMBL27744566 0.67 CYP17A1 (0.53) WNT3ASMN1; SMN2RAB9AROCK2ROCK1

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 WNT3A 3461/4885PSEN1 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.