SCHEMBL4530179

SCHEMBL4530179

O=C(CCc1ccccc1)Nc1ccc(-c2ccncc2)cc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.83
NPY5R Q15761 1/20 0.71
MAPT P10636 2/20 0.69
HTT P42858 1/20 0.69
ROCK2 O75116 3/20 0.67
ROCK1 Q13464 2/20 0.67
TOP2A P11388 1/20 0.62
TOP2B Q02880 1/20 0.62
RAB9A P51151 1/20 0.59
GAA P10253 1/20 0.59
MMP2 P08253 1/20 0.58
MMP9 P14780 1/20 0.58
MMP8 P22894 1/20 0.58
MMP13 P45452 1/20 0.58
HDAC3 O15379 2/20 0.58
HDAC4 P56524 2/20 0.58
HDAC1 Q13547 2/20 0.58
HDAC7 Q8WUI4 2/20 0.58
HDAC2 Q92769 2/20 0.58
HDAC10 Q969S8 2/20 0.58

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
SCHEMBL2203781 0.91 LMNA (1.00) LMNANPY5RMAPTHTTRAB9A
SCHEMBL13356363 0.89 MAPT (0.80) LMNAMAPTHTTROCK2TOP2A
SCHEMBL31300135 0.86 CHRM1 (0.64) LMNANPY5RMAPTHTTROCK2
SCHEMBL4524419 0.85 LMNA (0.60) LMNANPY5RMAPTHTTROCK2
SCHEMBL28551231 0.84 MAPT (0.71) LMNAMAPTHTTROCK2TOP2A
SCHEMBL3123391 0.83 TOP2A (0.60) LMNANPY5RMAPTHTTROCK2
SCHEMBL3061430 0.82 MAPT (1.00) LMNAMAPTHTTRAB9AGAA
SCHEMBL11187732 0.81 BCHE (0.81) LMNANPY5RMAPTROCK2ROCK1
SCHEMBL3253622 0.81 LMNA (0.67) LMNANPY5RMAPTHTTROCK1
Hydrochloric Acid SCHEMBL27689202 0.81 MAPT (0.96) LMNAMAPTHTTRAB9AGAA

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 3083/4885NPY5R 2164/4885MAPT 236/4885

“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.