SCHEMBL353388

SCHEMBL353388

CN(Cc1csc(NC(=O)NCc2cccc(F)c2)n1)C(=O)C1CCCO1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 11/20 0.50
ROCK1 Q13464 11/20 0.50
LMNA P02545 2/20 0.42
POLB P06746 1/20 0.42
ATG4B Q9Y4P1 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 2/20 0.40
SGK1 O00141 1/20 0.40
AKT1 P31749 1/20 0.40
GSK3B P49841 1/20 0.40
LIMK1 P53667 1/20 0.40
TNK2 Q07912 1/20 0.40
DMPK Q09013 1/20 0.40
MYLK Q15746 1/20 0.40
CDC42BPA Q5VT25 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL353453 1.00 ROCK2 (0.50) ROCK2ROCK1LMNAPOLBATG4B
SCHEMBL354062 1.00 ROCK2 (0.50) ROCK2ROCK1LMNAPOLBATG4B
SCHEMBL353295 0.98 ROCK2 (0.49) ROCK2ROCK1LMNAPOLBATG4B
SCHEMBL353393 0.88 ROCK2 (0.48) ROCK2ROCK1ATG4BSGK1AKT1
SCHEMBL352838 0.88 ROCK2 (0.54) ROCK2ROCK1ATG4BSGK1AKT1
SCHEMBL355491 0.87 ROCK2 (0.55) ROCK2ROCK1ATG4BSGK1AKT1
SCHEMBL352908 0.87 ROCK1 (0.50) ROCK2ROCK1ATG4BSGK1AKT1
SCHEMBL351943 0.87 ROCK2 (0.44) ROCK2ROCK1LMNAPOLBATG4B
SCHEMBL352857 0.87 ATG4B (0.42) ROCK2ROCK1LMNAPOLBATG4B
SCHEMBL354366 0.87 ROCK2 (0.51) ROCK2ROCK1ATG4BSGK1AKT1

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 10 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-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS Crestone, Inc. (US) 2010-06-30 EP claimed
WO-2009015208-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS REPLIDYNE, INC. (US) 2009-01-29 WO 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 4747/4885LMNA 4293/4885

“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.