SCHEMBL353431

SCHEMBL353431

O=C(NCc1cccc(F)c1)Nc1nc(CCl)ns1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.55
ROCK1 Q13464 3/20 0.55
ATG4B Q9Y4P1 1/20 0.53
EPHX2 P34913 1/20 0.49
NAMPT P43490 3/20 0.48
NPC1 O15118 1/20 0.48
AURKA O14965 1/20 0.47
CDK8 P49336 1/20 0.47
AURKB Q96GD4 1/20 0.47
LMNA P02545 2/20 0.46
MAPT P10636 3/20 0.45
TP53 P04637 2/20 0.45
MAPK1 P28482 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PAX8 Q06710 1/20 0.44
NLRP3 Q96P20 1/20 0.44
RAB9A P51151 1/20 0.42
MAOB P27338 1/20 0.42
IDH1 O75874 1/20 0.42

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
SCHEMBL354453 0.88 ROCK2 (0.54) ROCK2ROCK1ATG4BEPHX2NAMPT
SCHEMBL885466 0.87 ROCK2 (0.53) ROCK2ROCK1ATG4BEPHX2NAMPT
SCHEMBL885465 0.87 ROCK2 (0.53) ROCK2ROCK1ATG4BEPHX2NAMPT
SCHEMBL3508880 0.83 ROCK2 (0.50) ROCK2ROCK1ATG4BEPHX2NAMPT
SCHEMBL3511574 0.82 ROCK2 (0.49) ROCK2ROCK1ATG4BEPHX2NAMPT
SCHEMBL3509687 0.81 ROCK2 (0.48) ROCK2ROCK1ATG4BEPHX2NAMPT
SCHEMBL4792455 0.81 ROCK2 (0.48) ROCK2ROCK1ATG4BEPHX2NAMPT
SCHEMBL4779015 0.81 MAPK1 (0.48) ROCK2ROCK1AURKAAURKBMAPT
Cyclopentane SCHEMBL19119283 0.81 ROCK2 (0.50) ROCK2ROCK1ATG4BEPHX2NAMPT
Cyclohexane SCHEMBL19119453 0.81 ROCK2 (0.50) ROCK2ROCK1ATG4BEPHX2NAMPT

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 19 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 disclosed
EP-2200440-B1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS CRESTONE INC (US) 2017-07-19 EP disclosed
US-8716320-B2 Antibacteriall heterocyclic ureas REPLIDYNE, INC. (US) 2014-05-06 US disclosed
US-8293919-B2 Antibacterial sulfone and sulfoxide substituted heterocyclic urea compounds CRESTONE, INC. (US) 2012-10-23 US disclosed
US-8293919-B2 Antibacterial sulfone and sulfoxide substituted heterocyclic urea compounds CRESTONE, INC. (US) 2012-10-23 US disclosed
US-8148380-B2 Antibacterial amide and sulfonamide substituted heterocyclic urea compounds CRESTONE, INC. (US) 2012-04-03 US disclosed
US-8148380-B2 Antibacterial amide and sulfonamide substituted heterocyclic urea compounds CRESTONE, INC. (US) 2012-04-03 US 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
US-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds CRESTONE, INC. (US) 2012-01-19 US disclosed
US-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds CRESTONE, INC. (US) 2012-01-19 US disclosed
US-20100286169-A1 Antibacterial Sulfone and Sulfoxide Substituted Heterocyclic Urea Compounds CRESTONE, INC. (US) 2010-11-11 US disclosed
US-20100286169-A1 Antibacterial Sulfone and Sulfoxide Substituted Heterocyclic Urea Compounds CRESTONE, INC. (US) 2010-11-11 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
WO-2009015208-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS REPLIDYNE, INC. (US) 2009-01-29 WO disclosed
WO-2009015193-A1 ANTIBACTERIAL SULFONE AND SULFOXIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS REPLIDYNE, INC. (US) 2009-01-29 WO disclosed
US-20080207703-A1 Antibacterial heterocyclic ureas REPLIDYNE, INC. (US) 2008-08-28 US disclosed
WO-2008011191-A1 ANTIBACTERIAL HETEROCYCLIC UREAS REPLIDYNE, INC. (US) 2008-01-24 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 (3 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
US-20100286169-A1 Antibacterial Sulfone and Sulfoxide Substituted Heterocyclic Urea Compounds TST, UMPS, UROD ROCK2 4700/4885ROCK1 4658/4885ATG4B 1348/4885
US-20080207703-A1 Antibacterial heterocyclic ureas UMPS, UROD, UGP2 ROCK2 4405/4885ROCK1 4331/4885ATG4B 729/4885

“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.