SCHEMBL353120

SCHEMBL353120

CN(C(=O)C1CCCO1)C(C#N)c1csc(NC(=O)NCc2cccc(F)c2)n1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 13/20 0.46
ROCK1 Q13464 12/20 0.46
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
KIF11 P52732 2/20 0.38
ATG4B Q9Y4P1 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ELOVL1 Q9BW60 1/20 0.36
SGK1 O00141 1/20 0.36
AKT1 P31749 1/20 0.36
GSK3B P49841 1/20 0.36
LIMK1 P53667 1/20 0.36
TNK2 Q07912 1/20 0.36
DMPK Q09013 1/20 0.36
MYLK Q15746 1/20 0.36
CDC42BPA Q5VT25 1/20 0.36

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
SCHEMBL353263 0.87 ROCK2 (0.47) ROCK2ROCK1LMNAPOLBKIF11
SCHEMBL353388 0.82 ROCK2 (0.50) ROCK2ROCK1LMNAPOLBATG4B
SCHEMBL353453 0.82 ROCK2 (0.50) ROCK2ROCK1LMNAPOLBATG4B
SCHEMBL354062 0.82 ROCK2 (0.50) ROCK2ROCK1LMNAPOLBATG4B
SCHEMBL354655 0.80 ROCK2 (0.47) ROCK2ROCK1ATG4BNPC1SGK1
SCHEMBL353499 0.80 ROCK1 (0.50) ROCK2ROCK1ATG4BSGK1AKT1
SCHEMBL353295 0.79 ROCK2 (0.49) ROCK2ROCK1LMNAPOLBATG4B
SCHEMBL351943 0.77 ROCK2 (0.44) ROCK2ROCK1LMNAPOLBATG4B
SCHEMBL19119158 0.77 ROCK1 (0.45) ROCK2ROCK1ATG4BSGK1AKT1
SCHEMBL353407 0.76 ROCK1 (0.58) ROCK2ROCK1ATG4BSGK1AKT1

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
EP-2200440-B1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS CRESTONE INC (US) 2017-07-19 EP claimed
US-8148380-B2 Antibacterial amide and sulfonamide substituted heterocyclic urea compounds CRESTONE, INC. (US) 2012-04-03 US claimed
EP-2200440-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS Crestone, Inc. (US) 2010-06-30 EP claimed
WO-2009015208-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS REPLIDYNE, INC. (US) 2009-01-29 WO claimed
EP-2200440-B1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS CRESTONE INC (US) 2017-07-19 EP disclosed
US-8148380-B2 Antibacterial amide and sulfonamide substituted heterocyclic urea compounds CRESTONE, INC. (US) 2012-04-03 US disclosed
US-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds CRESTONE, INC. (US) 2012-01-19 US disclosed
EP-2200440-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS Crestone, Inc. (US) 2010-06-30 EP disclosed
WO-2009015208-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS REPLIDYNE, INC. (US) 2009-01-29 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-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds NAAA, AADAC, RPSA ROCK2 4626/4885ROCK1 4747/4885LMNA 4293/4885

“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.