SCHEMBL354019

SCHEMBL354019

O=C(NCc1cccc(F)c1)Nc1nc(CO)cs1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 18/20 0.68
ROCK2 O75116 16/20 0.68
ATG4B Q9Y4P1 1/20 0.53
SGK1 O00141 1/20 0.48
AKT1 P31749 1/20 0.48
GSK3B P49841 1/20 0.48
LIMK1 P53667 1/20 0.48
TNK2 Q07912 1/20 0.48
DMPK Q09013 1/20 0.48
MYLK Q15746 1/20 0.48
CDC42BPA Q5VT25 1/20 0.48
PRKACA P17612 1/20 0.47
EPHX2 P34913 1/20 0.47

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
SCHEMBL4777330 0.91 ROCK1 (0.66) ROCK1ROCK2ATG4BSGK1AKT1
SCHEMBL352614 0.90 ROCK1 (0.67) ROCK1ROCK2ATG4BSGK1AKT1
SCHEMBL353303 0.90 ROCK1 (0.67) ROCK1ROCK2ATG4BSGK1AKT1
SCHEMBL19119539 0.90 ROCK1 (0.67) ROCK1ROCK2ATG4BSGK1AKT1
SCHEMBL10237515 0.90 ROCK1 (0.67) ROCK1ROCK2ATG4BSGK1AKT1
Hydrochloric Acid SCHEMBL355183 0.89 ROCK1 (0.66) ROCK1ROCK2ATG4BSGK1AKT1
SCHEMBL353725 0.89 ROCK1 (0.66) ROCK1ROCK2ATG4BSGK1AKT1
SCHEMBL353543 0.88 ROCK2 (0.62) ROCK1ROCK2ATG4BEPHX2
SCHEMBL3651578 0.88 ROCK1 (0.64) ROCK1ROCK2ATG4BPRKACA
SCHEMBL3651574 0.87 ROCK1 (0.63) 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 5 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 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 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.