SCHEMBL4725993

SCHEMBL4725993

COC(=O)c1noc(C)c1C(=O)N(C)Cc1csc(NC(=O)NCc2cccc(F)c2)n1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 13/20 0.47
ROCK2 O75116 12/20 0.47
HTT P42858 1/20 0.41
ATG4B Q9Y4P1 1/20 0.40
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SCD5 Q86SK9 1/20 0.38
EPHX2 P34913 1/20 0.37

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
SCHEMBL354004 0.94 HTT (0.49) ROCK1ROCK2HTTATG4BKMT2A
SCHEMBL351593 0.92 ROCK2 (0.49) ROCK1ROCK2ATG4BKMT2AMEN1
SCHEMBL355123 0.90 ROCK2 (0.51) ROCK1ROCK2ATG4BKMT2AMEN1
SCHEMBL352833 0.89 ROCK2 (0.49) ROCK1ROCK2ATG4BKMT2AMEN1
SCHEMBL353432 0.88 ROCK2 (0.49) ROCK1ROCK2HTTATG4BKMT2A
SCHEMBL19118745 0.87 ROCK1 (0.47) ROCK1ROCK2ATG4BKMT2AMEN1
SCHEMBL352392 0.84 ROCK1 (0.47) ROCK1ROCK2ATG4BKMT2AMEN1
SCHEMBL352935 0.84 ROCK2 (0.48) ROCK1ROCK2ATG4BKMT2AMEN1
SCHEMBL353559 0.83 ROCK2 (0.52) ROCK1ROCK2ATG4BKMT2AMEN1
SCHEMBL354050 0.83 ROCK1 (0.54) ROCK1ROCK2ATG4BEPHX2

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-8716320-B2 Antibacteriall heterocyclic ureas REPLIDYNE, INC. (US) 2014-05-06 US disclosed
US-20080207703-A1 Antibacterial heterocyclic ureas REPLIDYNE, INC. (US) 2008-08-28 US disclosed
WO-2008011191-A1 ANTIBACTERIAL HETEROCYCLIC UREAS REPLIDYNE, INC. (US) 2008-01-24 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-20080207703-A1 Antibacterial heterocyclic ureas UMPS, UROD, UGP2 ROCK1 4331/4885ROCK2 4405/4885HTT 1028/4885

“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.