SCHEMBL352954

SCHEMBL352954

CO[C@H](C)C(=O)N(C)Cc1nsc(NC(=O)NCc2cccc(F)c2)n1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.47
ROCK1 Q13464 4/20 0.47
ATG4B Q9Y4P1 1/20 0.43
ANPEP P15144 1/20 0.42
NPC1 O15118 1/20 0.41
MAPK1 P28482 1/20 0.40
NAMPT P43490 3/20 0.40
EPHX2 P34913 1/20 0.40
OPRM1 P35372 2/20 0.40
AURKA O14965 1/20 0.39
CDK8 P49336 1/20 0.39
AURKB Q96GD4 1/20 0.39
OPRL1 P41146 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PAX8 Q06710 1/20 0.38
NLRP3 Q96P20 1/20 0.38
MAPT P10636 2/20 0.38
TP53 P04637 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
SCHEMBL352955 1.00 ROCK2 (0.47) ROCK2ROCK1ATG4BANPEPNPC1
SCHEMBL352254 0.86 ROCK1 (0.54) ROCK2ROCK1ATG4BANPEPMAPK1
SCHEMBL352255 0.86 ROCK1 (0.54) ROCK2ROCK1ATG4BANPEPMAPK1
SCHEMBL354710 0.86 ROCK1 (0.54) ROCK2ROCK1ATG4BANPEPMAPK1
SCHEMBL353147 0.84 ROCK2 (0.45) ROCK2ROCK1ATG4BANPEPMAPK1
SCHEMBL353146 0.84 ROCK2 (0.45) ROCK2ROCK1ATG4BANPEPMAPK1
Cyclopentane SCHEMBL19119283 0.84 ROCK2 (0.50) ROCK2ROCK1ATG4BANPEPNPC1
Cyclohexane SCHEMBL19119453 0.84 ROCK2 (0.50) ROCK2ROCK1ATG4BANPEPNPC1
SCHEMBL353686 0.83 ROCK2 (0.49) ROCK2ROCK1ATG4BANPEPNPC1
SCHEMBL353291 0.82 ROCK2 (0.48) ROCK2ROCK1ATG4BANPEPNPC1

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-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 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.