SCHEMBL4519745

SCHEMBL4519745

N[C@@H](C(=O)Nc1ccc(-c2ccncc2)cc1)c1cccs1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.53
TAAR1 Q96RJ0 1/20 0.44
ALDH1A1 P00352 1/20 0.44
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
ROCK2 O75116 10/20 0.42
ROCK1 Q13464 7/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
POLB P06746 1/20 0.40
STAT3 P40763 1/20 0.40
AKT1 P31749 1/20 0.40
CIT O14578 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
SCHEMBL4528969 0.81 ROCK2 (0.47) ALDH1A1ROCK2SMN1; SMN2MEN1GAA
SCHEMBL4532514 0.81 ROCK1 (0.44) AAK1TAAR1ALDH1A1PSEN1PSEN2
SCHEMBL14562634 0.80 ROCK2 (0.61) ROCK2ROCK1
SCHEMBL13764113 0.80 ROCK2 (0.67) ROCK2ROCK1
SCHEMBL1105177 0.80 ROCK2 (0.61) ROCK2ROCK1
SCHEMBL1105178 0.80 ROCK2 (0.61) ROCK2ROCK1
SCHEMBL4527170 0.79 ROCK2 (0.62) AAK1TAAR1PSEN1PSEN2APH1B
SCHEMBL27744413 0.79 ROCK2 (0.62) AAK1TAAR1PSEN1PSEN2APH1B
SCHEMBL4531698 0.79 ROCK2 (0.62) AAK1TAAR1PSEN1PSEN2APH1B
SCHEMBL4518039 0.78 AAK1 (0.60) AAK1ALDH1A1ROCK2ROCK1HTT

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 10 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-8211919-B2 Amide derivatives as rock inhibitors ASTELLAS PHARMA INC. (JP) 2012-07-03 US disclosed
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
US-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2009-04-23 US disclosed
US-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2009-04-23 US disclosed
CN-101253152-A Amide derivatives as ROCK inhibitors ASTELLAS PHARMA INC (JP) 2008-08-27 CN disclosed
EP-1922306-A2 AMIDE DERIVATIVES AS ROCK INHIBITORS Astellas Pharma Inc. (JP) 2008-05-21 EP disclosed
WO-2007026920-A2 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2007-03-08 WO disclosed
WO-2007026920-A2 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2007-03-08 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-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ROCK1, ROCK2, RHOA AAK1 736/4885TAAR1 3374/4885ALDH1A1 3985/4885

“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.