SCHEMBL353263

SCHEMBL353263

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

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 11/20 0.47
ROCK1 Q13464 11/20 0.47
ATG4B Q9Y4P1 1/20 0.40
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
KIF11 P52732 3/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ELOVL1 Q9BW60 1/20 0.37
OPRM1 P35372 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
SCHEMBL353120 0.87 ROCK2 (0.46) ROCK2ROCK1ATG4BLMNAPOLB
SCHEMBL354062 0.82 ROCK2 (0.50) ROCK2ROCK1ATG4BLMNAPOLB
SCHEMBL353388 0.82 ROCK2 (0.50) ROCK2ROCK1ATG4BLMNAPOLB
SCHEMBL353453 0.82 ROCK2 (0.50) ROCK2ROCK1ATG4BLMNAPOLB
SCHEMBL353295 0.80 ROCK2 (0.49) ROCK2ROCK1ATG4BLMNAPOLB
SCHEMBL351943 0.78 ROCK2 (0.44) ROCK2ROCK1ATG4BLMNAPOLB
SCHEMBL19119022 0.77 ROCK2 (0.59) ROCK2ROCK1ATG4B
SCHEMBL352857 0.76 ATG4B (0.42) ROCK2ROCK1ATG4BLMNAPOLB
SCHEMBL19118707 0.75 ROCK1 (0.63) ROCK2ROCK1ATG4B
SCHEMBL3653431 0.74 ROCK1 (0.60) ROCK2ROCK1ATG4B

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
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-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 ROCK2 4626/4885ROCK1 4747/4885ATG4B 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.