SCHEMBL353551

SCHEMBL353551

Cc1oc(CN2CCOCC2)cc1C(=O)N(C)Cc1csc(NC(=O)NCc2cccc(F)c2)n1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.44
ROCK1 Q13464 4/20 0.44
ENPP2 Q13822 3/20 0.41
SRC P12931 2/20 0.36
EPHX2 P34913 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PDK1 Q15118 1/20 0.35
AURKA O14965 1/20 0.35
KLKB1 P03952 1/20 0.35
KLK1 P06870 1/20 0.35
NTRK1 P04629 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL19119399 0.90 ROCK2 (0.43) ROCK2ROCK1ENPP2SRCEPHX2
SCHEMBL354374 0.87 ROCK2 (0.44) ROCK2ROCK1ENPP2SRCEPHX2
SCHEMBL352905 0.82 ROCK2 (0.47) ROCK2ROCK1SRCATG4B
SCHEMBL19119316 0.80 ROCK2 (0.43) ROCK2ROCK1ENPP2SRCATG4B
SCHEMBL349810 0.80 ROCK2 (0.51) ROCK2ROCK1EPHX2ATG4B
SCHEMBL353532 0.80 ROCK2 (0.54) ROCK2ROCK1EPHX2ATG4B
SCHEMBL353537 0.79 ROCK1 (0.51) ROCK2ROCK1EPHX2ATG4B
SCHEMBL352137 0.79 ROCK2 (0.45) ROCK2ROCK1SRCATG4B
SCHEMBL354322 0.79 ROCK2 (0.45) ROCK2ROCK1SRCATG4BAURKA
SCHEMBL354410 0.79 ROCK1 (0.51) ROCK2ROCK1EPHX2ATG4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 4747/4885ENPP2 3369/4885

“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.