SCHEMBL352626

SCHEMBL352626

Cc1nccnc1C(=O)N(C)Cc1nc(NC(=O)NCc2cccc(F)c2)sc1Br

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.45
ATG4B Q9Y4P1 2/20 0.45
ROCK1 Q13464 2/20 0.45
NAMPT P43490 3/20 0.41
EPHX2 P34913 1/20 0.40
MAPK1 P28482 4/20 0.39
LMNA P02545 1/20 0.38
LCK P06239 1/20 0.37
IDH1 O75874 1/20 0.37
ANPEP P15144 1/20 0.36
OPRM1 P35372 1/20 0.36
CHRM4 P08173 1/20 0.36

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
SCHEMBL354495 0.91 ROCK2 (0.45) ROCK2ATG4BROCK1NAMPTEPHX2
SCHEMBL19119301 0.86 ROCK2 (0.45) ROCK2ATG4BROCK1NAMPTEPHX2
SCHEMBL352753 0.86 ROCK2 (0.54) ROCK2ATG4BROCK1NAMPTEPHX2
SCHEMBL352804 0.84 ROCK2 (0.48) ROCK2ATG4BROCK1NAMPTEPHX2
SCHEMBL352989 0.84 ROCK2 (0.42) ROCK2ATG4BROCK1NAMPTEPHX2
SCHEMBL19119111 0.81 ROCK2 (0.47) ROCK2ATG4BROCK1NAMPTEPHX2
SCHEMBL3655306 0.79 ROCK2 (0.53) ROCK2ATG4BROCK1NAMPTEPHX2
SCHEMBL19119253 0.79 ROCK2 (0.41) ROCK2ATG4BROCK1NAMPTEPHX2
SCHEMBL19119027 0.78 ROCK2 (0.53) ROCK2ATG4BROCK1NAMPTEPHX2
SCHEMBL19119208 0.78 ROCK2 (0.45) ROCK2ATG4BROCK1NAMPTEPHX2

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
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

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 4626/4885ATG4B 761/4885ROCK1 4747/4885

“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.