SCHEMBL4525893

SCHEMBL4525893

CCC(C(=O)O)N(CC(=O)Nc1ccc(-c2ccncc2)cc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 6/20 0.45
ROCK1 Q13464 6/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
HTT P42858 2/20 0.43
LMNA P02545 2/20 0.43
SLC1A3 P43003 1/20 0.42
SLC1A2 P43004 1/20 0.42
SLC1A1 P43005 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
AAK1 Q2M2I8 1/20 0.42
NAMPT P43490 1/20 0.41
POLB P06746 2/20 0.41
STAT3 P40763 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
NPC1 O15118 1/20 0.41
MITF O75030 1/20 0.41
ALDH1A1 P00352 1/20 0.41
RAB9A P51151 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 0.80 ROCK2 (0.51) ROCK2ROCK1SMN1; SMN2HTTLMNA
SCHEMBL4535752 0.80 ROCK2 (0.51) ROCK2ROCK1SMN1; SMN2HTTLMNA
SCHEMBL4520971 0.79 ROCK2 (0.52) ROCK2ROCK1SMN1; SMN2HTTLMNA
SCHEMBL4534828 0.78 ALDH1A1 (0.49) ROCK2ROCK1SMN1; SMN2HTTLMNA
SCHEMBL4531740 0.78 ROCK2 (0.49) ROCK2ROCK1SMN1; SMN2HTTLMNA
SCHEMBL4527624 0.76 GAA (0.59) SMN1; SMN2HTTLMNAMEN1KMT2A
SCHEMBL4533610 0.75 ROCK2 (0.48) ROCK2ROCK1SMN1; SMN2HTTLMNA
SCHEMBL4518662 0.74 ROCK2 (0.47) ROCK2ROCK1SMN1; SMN2HTTLMNA
SCHEMBL4525610 0.73 CYP17A1 (0.49) ROCK2ROCK1SMN1; SMN2LMNAMEN1
SCHEMBL28396992 0.72 ALDH1A1 (0.41) SMN1; SMN2LMNAMEN1KMT2APOLB

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 2 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

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 1/4885SMN1; SMN2 3046/4885

“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.