SCHEMBL352247

SCHEMBL352247

Cc1noc(C)c1C(=O)N(Cc1csc(NC(=O)NCc2cccc(F)c2)n1)CC(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 12/20 0.47
ROCK1 Q13464 12/20 0.47
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ATG4B Q9Y4P1 1/20 0.38
BCHE P06276 1/20 0.38
EPHX2 P34913 1/20 0.37
GAA P10253 2/20 0.37
TAS2R8 Q9NYW2 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SGK1 O00141 1/20 0.36
AKT1 P31749 1/20 0.36
GSK3B P49841 1/20 0.36
LIMK1 P53667 1/20 0.36
TNK2 Q07912 1/20 0.36
DMPK Q09013 1/20 0.36
MYLK Q15746 1/20 0.36
CDC42BPA Q5VT25 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
SCHEMBL353283 0.89 ROCK1 (0.47) ROCK2ROCK1NPC1RAB9AATG4B
SCHEMBL355123 0.88 ROCK2 (0.51) ROCK2ROCK1NPC1RAB9AATG4B
SCHEMBL19118748 0.87 ROCK1 (0.46) ROCK2ROCK1RAB9AATG4BEPHX2
SCHEMBL352695 0.86 ROCK2 (0.44) ROCK2ROCK1NPC1RAB9AATG4B
SCHEMBL354438 0.82 ROCK1 (0.49) ROCK2ROCK1ATG4BEPHX2TAS2R8
SCHEMBL354196 0.82 ROCK2 (0.52) ROCK2ROCK1NPC1RAB9AATG4B
SCHEMBL352935 0.81 ROCK2 (0.48) ROCK2ROCK1ATG4BEPHX2KMT2A
SCHEMBL353432 0.80 ROCK2 (0.49) ROCK2ROCK1NPC1RAB9AATG4B
SCHEMBL353886 0.80 ROCK2 (0.49) ROCK2ROCK1ATG4BEPHX2TAS2R8
SCHEMBL352833 0.80 ROCK2 (0.49) ROCK2ROCK1ATG4BEPHX2GAA

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 4 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
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 4626/4885ROCK1 4747/4885NPC1 3444/4885

“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.