SCHEMBL1984599

SCHEMBL1984599

COc1cc(NC(=O)C2COc3ccccc3O2)c(F)cc1-c1cn[nH]c1

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 10/20 0.73
AKT1 P31749 2/20 0.73
RPS6KB1 P23443 1/20 0.71
ROCK1 Q13464 3/20 0.59
TSHR P16473 3/20 0.58
HTT P42858 3/20 0.58
MAPT P10636 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.56
ALDH1A1 P00352 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.55
RAB9A P51151 1/20 0.55
NPC1 O15118 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
KDM4E B2RXH2 1/20 0.49
HPGD P15428 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL1984590 1.00 ROCK2 (0.73) ROCK2AKT1RPS6KB1ROCK1TSHR
SCHEMBL12561730 0.89 RPS6KB1 (0.74) ROCK2AKT1RPS6KB1ROCK1TSHR
SCHEMBL12561687 0.89 RPS6KB1 (0.74) ROCK2AKT1RPS6KB1ROCK1TSHR
SCHEMBL1985525 0.86 ROCK2 (0.69) ROCK2AKT1RPS6KB1ROCK1
SCHEMBL1990142 0.86 RPS6KB1 (0.71) ROCK2AKT1RPS6KB1ROCK1TSHR
SCHEMBL1984020 0.85 ROCK2 (0.72) ROCK2AKT1RPS6KB1ROCK1TSHR
SCHEMBL1989572 0.85 RPS6KB1 (0.72) ROCK2AKT1RPS6KB1ROCK1TSHR
SCHEMBL1252326 0.84 ROCK2 (1.00) ROCK2RPS6KB1
SCHEMBL1988483 0.84 ROCK2 (1.00) ROCK2AKT1RPS6KB1ROCK1TSHR
SCHEMBL1988490 0.84 ROCK2 (1.00) ROCK2AKT1RPS6KB1ROCK1TSHR

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 1 patent. 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

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 31/4885RPS6KB1 42/4885

“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.