SCHEMBL4512709

SCHEMBL4512709

O=C(NC[C@H](O)c1ccccc1)Nc1ccc(-c2ccncc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 8/20 0.64
ROCK1 Q13464 7/20 0.64
PRMT3 O60678 1/20 0.55
CASR P41180 1/20 0.54
HTT P42858 1/20 0.51
BCAT2 O15382 1/20 0.49
TAAR1 Q96RJ0 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NAMPT P43490 3/20 0.47

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
SCHEMBL4512704 1.00 ROCK2 (0.64) ROCK2ROCK1PRMT3CASRHTT
SCHEMBL10613785 0.81 CASR (0.66) ROCK2ROCK1PRMT3CASRBCAT2
SCHEMBL4525925 0.78 ROCK2 (1.00) ROCK2ROCK1HTTNAMPT
SCHEMBL4531729 0.76 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL4533393 0.76 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL16227497 0.76 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL4529522 0.76 ROCK2 (0.58) ROCK2ROCK1HTTTAAR1SMN1; SMN2
SCHEMBL4529666 0.76 ROCK2 (0.58) ROCK2ROCK1HTTTAAR1SMN1; SMN2
SCHEMBL27723709 0.76 ROCK2 (0.58) ROCK2ROCK1HTTTAAR1SMN1; SMN2
SCHEMBL4511838 0.76 ROCK2 (0.72) ROCK2ROCK1CASRTAAR1

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 4 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
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

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 1/4885PRMT3 66/4885

“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.