SCHEMBL353743

SCHEMBL353743

CN(Cc1csc(NC(=O)NCc2cccc(F)c2)n1)C(=O)C1Cc2ccccc2O1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 17/20 0.48
ROCK2 O75116 16/20 0.48
ATG4B Q9Y4P1 1/20 0.39
SGK1 O00141 1/20 0.39
AKT1 P31749 1/20 0.39
GSK3B P49841 1/20 0.39
LIMK1 P53667 1/20 0.39
TNK2 Q07912 1/20 0.39
DMPK Q09013 1/20 0.39
MYLK Q15746 1/20 0.39
CDC42BPA Q5VT25 1/20 0.39
SIRT1 Q96EB6 1/20 0.37
SIRT3 Q9NTG7 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
SCHEMBL353954 0.92 ROCK2 (0.47) ROCK1ROCK2ATG4BSGK1AKT1
SCHEMBL352939 0.88 ROCK2 (0.42) ROCK1ROCK2ATG4B
SCHEMBL354288 0.84 ROCK2 (0.49) ROCK1ROCK2ATG4BSGK1AKT1
SCHEMBL354287 0.84 ROCK2 (0.49) ROCK1ROCK2ATG4BSGK1AKT1
SCHEMBL355491 0.84 ROCK2 (0.55) ROCK1ROCK2ATG4BSGK1AKT1
SCHEMBL354002 0.83 ROCK1 (0.50) ROCK1ROCK2ATG4BSGK1AKT1
SCHEMBL353818 0.83 ROCK1 (0.50) ROCK1ROCK2ATG4BSGK1AKT1
SCHEMBL353388 0.83 ROCK2 (0.50) ROCK1ROCK2ATG4BSGK1AKT1
SCHEMBL353453 0.83 ROCK2 (0.50) ROCK1ROCK2ATG4BSGK1AKT1
SCHEMBL351742 0.83 ROCK1 (0.50) ROCK1ROCK2ATG4BSGK1AKT1

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 8 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
US-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds CRESTONE, INC. (US) 2012-01-19 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

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 ROCK1 4747/4885ROCK2 4626/4885ATG4B 761/4885

“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.