SCHEMBL1989672

SCHEMBL1989672

Cc1n[nH]cc1-c1ccc(NC(=O)C2COc3ccccc3O2)c(SCCN(C)C)c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 6/20 0.57
AKT1 P31749 2/20 0.57
ROCK1 Q13464 2/20 0.57
RPS6KB1 P23443 1/20 0.47
NPC1 O15118 4/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
TSHR P16473 3/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
RAB9A P51151 3/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CDC42BPA Q5VT25 1/20 0.43
LMNA P02545 2/20 0.43
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL1986551 0.86 ROCK2 (0.77) ROCK2AKT1ROCK1RPS6KB1NPC1
SCHEMBL1988149 0.86 ROCK2 (0.56) ROCK2AKT1ROCK1RPS6KB1NPC1
SCHEMBL1986343 0.80 CDC42BPA (0.59) ROCK2ROCK1CDC42BPA
SCHEMBL12562392 0.79 ROCK2 (0.61) ROCK2ROCK1CDC42BPALMNAMAPT
SCHEMBL1253806 0.73 ROCK2 (0.78) ROCK2ROCK1CDC42BPA
SCHEMBL1254858 0.73 ROCK2 (0.78) ROCK2ROCK1CDC42BPA
SCHEMBL1253805 0.73 ROCK2 (0.78) ROCK2ROCK1CDC42BPA
Sr-3677 SCHEMBL453528 0.73 ROCK2 (1.00) ROCK2AKT1ROCK1RPS6KB1CDC42BPA
Sr-3677 SCHEMBL22145950 0.73 ROCK2 (1.00) ROCK2AKT1ROCK1RPS6KB1CDC42BPA
Sr-3677 SCHEMBL29378608 0.73 ROCK2 (1.00) ROCK2AKT1ROCK1RPS6KB1CDC42BPA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110150833-A1 BENZOPYRANS AND ANALOGS AS RHO KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2011-06-23 US disclosed
US-20110150833-A1 BENZOPYRANS AND ANALOGS AS RHO KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2011-06-23 US disclosed
WO-2009079008-A1 BENZOPYRANS AND ANALOGS AS RHO KINASE INHIBITORS FENG YANGBO (US) 2009-06-25 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-20110150833-A1 BENZOPYRANS AND ANALOGS AS RHO KINASE INHIBITORS ROCK1, RHOA, RHOT2 ROCK2 4/4885AKT1 31/4885ROCK1 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.