SCHEMBL354025

SCHEMBL354025

CN(Cc1nsc(NC(=O)NCc2cccc(F)c2)n1)C(=O)C1CCOC(C)(C)C1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.42
ROCK1 Q13464 1/20 0.42
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
NAMPT P43490 4/20 0.40
NPC1 O15118 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
EPHX2 P34913 1/20 0.38
AURKA O14965 1/20 0.37
CDK8 P49336 1/20 0.37
AURKB Q96GD4 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
PAX8 Q06710 1/20 0.36
NLRP3 Q96P20 1/20 0.36
MAPK1 P28482 1/20 0.35
LMNA P02545 1/20 0.35
ALOX15 P16050 1/20 0.35

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
SCHEMBL354636 0.88 ROCK2 (0.48) ROCK2ROCK1HDAC1HDAC8HDAC6
SCHEMBL19119374 0.87 ROCK2 (0.41) ROCK2ROCK1NAMPTNPC1ATG4B
SCHEMBL354401 0.87 ROCK2 (0.47) ROCK2ROCK1NAMPTNPC1ATG4B
SCHEMBL354589 0.86 ROCK2 (0.47) ROCK2ROCK1NAMPTNPC1ATG4B
SCHEMBL351943 0.83 ROCK2 (0.44) ROCK2ROCK1NAMPTNPC1ATG4B
SCHEMBL354670 0.83 ROCK2 (0.43) ROCK2ROCK1HDAC1HDAC8HDAC6
SCHEMBL352906 0.82 ALOX15 (0.36) HDAC1HDAC8HDAC6KMT2AMEN1
SCHEMBL19119463 0.81 ROCK2 (0.48) ROCK2ROCK1NAMPTNPC1ATG4B
SCHEMBL353068 0.81 ROCK2 (0.45) ROCK2ROCK1NAMPTNPC1ATG4B
Cyclopentane SCHEMBL19119283 0.80 ROCK2 (0.50) ROCK2ROCK1NAMPTNPC1ATG4B

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
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
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 4747/4885HDAC1 156/4885

“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.