SCHEMBL4524419

SCHEMBL4524419

O=C(CCc1cccc(O)c1)Nc1ccc(-c2ccncc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.60
TOP2A P11388 1/20 0.59
TOP2B Q02880 1/20 0.59
ROCK2 O75116 5/20 0.55
ROCK1 Q13464 4/20 0.55
NPY5R Q15761 3/20 0.53
PRKACA P17612 1/20 0.49
MAPT P10636 2/20 0.49
GAA P10253 1/20 0.49
HTT P42858 1/20 0.49
HCAR2 Q8TDS4 2/20 0.48
NAMPT P43490 2/20 0.47
TRPV1 Q8NER1 1/20 0.46
SLC2A4 P14672 1/20 0.46
WNT3A P56704 1/20 0.46

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
SCHEMBL27723758 0.90 ROCK2 (0.52) LMNATOP2ATOP2BROCK2ROCK1
SCHEMBL4530179 0.85 LMNA (0.83) LMNATOP2ATOP2BROCK2ROCK1
SCHEMBL18422033 0.80 MAPT (0.56) LMNATOP2ATOP2BMAPTGAA
SCHEMBL2835626 0.78 POLB (0.52) TOP2ATOP2BMAPTGAAHTT
SCHEMBL17148381 0.78 RAB9A (0.61) TOP2ATOP2BMAPTHTT
SCHEMBL31300135 0.77 CHRM1 (0.64) LMNAROCK2ROCK1NPY5RMAPT
SCHEMBL2834858 0.77 ALDH1A1 (0.62) LMNATOP2ATOP2BMAPTGAA
SCHEMBL2203781 0.76 LMNA (1.00) LMNANPY5RMAPTGAAHTT
SCHEMBL16712959 0.74 ROCK2 (0.77) ROCK2ROCK1PRKACAGAANAMPT
SCHEMBL29040342 0.74 TOP2A (1.00) LMNATOP2ATOP2BROCK2MAPT

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 LMNA 3083/4885TOP2A 2319/4885TOP2B 2826/4885

“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.