SCHEMBL4530746

SCHEMBL4530746

O=C(O)N[C@H](C(=O)Nc1ccc(-c2ccncc2)cc1)c1ccccc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 6/20 0.44
ROCK1 Q13464 6/20 0.44
TRPV1 Q8NER1 4/20 0.43
AAK1 Q2M2I8 1/20 0.41
POLB P06746 1/20 0.40
STAT3 P40763 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TYK2 P29597 1/20 0.40
PSEN1 P49768 4/20 0.40
PSEN2 P49810 4/20 0.40
APH1B Q8WW43 4/20 0.40
NCSTN Q92542 4/20 0.40
APH1A Q96BI3 4/20 0.40
PSENEN Q9NZ42 4/20 0.40
HDAC4 P56524 1/20 0.40
CNR2 P34972 1/20 0.39
CYP2D6 P10635 2/20 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
SCHEMBL4529608 0.82 AAK1 (0.49) ROCK2ROCK1TRPV1AAK1POLB
SCHEMBL4630929 0.81 ROCK2 (0.57) ROCK2ROCK1AAK1SMN1; SMN2PSEN1
SCHEMBL27723720 0.76 ROCK2 (0.66) ROCK2ROCK1TRPV1
SCHEMBL4519261 0.76 ROCK2 (0.66) ROCK2ROCK1TRPV1
SCHEMBL4532514 0.74 ROCK1 (0.44) ROCK2ROCK1AAK1POLBSTAT3
SCHEMBL4519187 0.73 ROCK2 (0.52) ROCK2ROCK1POLBSTAT3SMN1; SMN2
SCHEMBL4522421 0.73 ROCK2 (0.52) ROCK2ROCK1POLBSTAT3SMN1; SMN2
SCHEMBL27723736 0.72 AAK1 (0.42) ROCK2ROCK1TRPV1AAK1SMN1; SMN2
SCHEMBL6720054 0.71 RAB9A (0.55) POLB
SCHEMBL3557262 0.71 CNR1 (0.50) ROCK2ROCK1SMN1; SMN2HDAC4

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 ROCK2 2/4885ROCK1 1/4885TRPV1 4595/4885

“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.