SCHEMBL4534828

SCHEMBL4534828

O=C(CN(CCO)c1ccccc1)Nc1ccc(-c2ccncc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
ROCK2 O75116 6/20 0.49
ROCK1 Q13464 6/20 0.49
LMNA P02545 4/20 0.48
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
POLB P06746 1/20 0.45
STAT3 P40763 1/20 0.45
HTT P42858 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPC1 O15118 1/20 0.44
MITF O75030 1/20 0.44
RAB9A P51151 1/20 0.44
HSD17B10 Q99714 1/20 0.43
NPY5R Q15761 1/20 0.41

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
SCHEMBL4534742 0.87 ROCK2 (0.51) ALDH1A1ROCK2ROCK1LMNASMN1; SMN2
SCHEMBL4520971 0.83 ROCK2 (0.52) ALDH1A1ROCK2ROCK1LMNASMN1; SMN2
SCHEMBL4535752 0.82 ROCK2 (0.51) ALDH1A1ROCK2ROCK1LMNASMN1; SMN2
SCHEMBL4533610 0.81 ROCK2 (0.48) ALDH1A1ROCK2ROCK1LMNASMN1; SMN2
SCHEMBL4531740 0.80 ROCK2 (0.49) ALDH1A1ROCK2ROCK1LMNASMN1; SMN2
SCHEMBL4525893 0.78 ROCK2 (0.45) ALDH1A1ROCK2ROCK1LMNAGAA
SCHEMBL16128046 0.78 HDAC1 (0.54) ALDH1A1LMNAGAA
SCHEMBL4518662 0.78 ROCK2 (0.47) ALDH1A1ROCK2ROCK1LMNASMN1; SMN2
SCHEMBL4527624 0.78 GAA (0.59) ALDH1A1LMNAGAASMN1; SMN2POLB
SCHEMBL4525610 0.74 CYP17A1 (0.49) ROCK2ROCK1LMNASMN1; SMN2POLB

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 9 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
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 ALDH1A1 3985/4885ROCK2 2/4885ROCK1 1/4885

“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.