SCHEMBL353244

SCHEMBL353244

CN(Cc1csc(NC(=O)NCc2cccc(F)c2)n1)C(=O)c1nn(C)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 14/20 0.49
ROCK1 Q13464 14/20 0.49
EPHX2 P34913 1/20 0.42
ATG4B Q9Y4P1 1/20 0.40
HSD17B13 Q7Z5P4 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SGK1 O00141 1/20 0.38
AKT1 P31749 1/20 0.38
GSK3B P49841 1/20 0.38
LIMK1 P53667 1/20 0.38
TNK2 Q07912 1/20 0.38
DMPK Q09013 1/20 0.38
MYLK Q15746 1/20 0.38
CDC42BPA Q5VT25 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL19118877 0.88 ROCK1 (0.48) ROCK2ROCK1EPHX2ATG4BHSD17B13
SCHEMBL353656 0.85 ROCK1 (0.49) ROCK2ROCK1ATG4BSGK1AKT1
SCHEMBL353620 0.85 ROCK2 (0.50) ROCK2ROCK1EPHX2ATG4BHSD17B13
SCHEMBL352919 0.84 ROCK2 (0.49) ROCK2ROCK1EPHX2ATG4BSMN1; SMN2
SCHEMBL353535 0.84 ROCK2 (0.49) ROCK2ROCK1ATG4BSGK1AKT1
SCHEMBL353632 0.83 ROCK2 (0.49) ROCK2ROCK1ATG4BALDH1A1SMN1; SMN2
SCHEMBL352918 0.83 ROCK2 (0.49) ROCK2ROCK1EPHX2ATG4BSGK1
SCHEMBL352898 0.83 ROCK1 (0.50) ROCK2ROCK1EPHX2ATG4BSGK1
SCHEMBL354243 0.83 ROCK2 (0.50) ROCK2ROCK1EPHX2ATG4BSGK1
SCHEMBL353920 0.82 ROCK2 (0.51) ROCK2ROCK1EPHX2ATG4BSGK1

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 4 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

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 4747/4885EPHX2 4031/4885

“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.