SCHEMBL353440

SCHEMBL353440

CCOC(=O)/C(=N\O)c1csc(NC(=O)NCc2cccc(F)c2)n1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 11/20 0.55
ROCK1 Q13464 11/20 0.55
MEN1 O00255 5/20 0.49
MAPT P10636 5/20 0.49
KMT2A Q03164 5/20 0.49
GAA P10253 3/20 0.49
NPSR1 Q6W5P4 3/20 0.49
RECQL P46063 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
ATG4B Q9Y4P1 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
EPHX2 P34913 1/20 0.43

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
SCHEMBL353441 1.00 ROCK2 (0.55) ROCK2ROCK1MEN1MAPTKMT2A
SCHEMBL353310 0.89 ROCK1 (0.59) ROCK2ROCK1MAPTHPGDSMN1; SMN2
SCHEMBL353107 0.80 ROCK1 (0.68) ROCK2ROCK1ATG4BEPHX2
SCHEMBL4727779 0.79 MAPT (0.64) ROCK2ROCK1MEN1MAPTKMT2A
SCHEMBL10237515 0.77 ROCK1 (0.67) ROCK2ROCK1ATG4BEPHX2
SCHEMBL10466253 0.76 ROCK2 (0.55) ROCK2ROCK1MEN1MAPTKMT2A
SCHEMBL3655530 0.75 ROCK1 (0.61) ROCK2ROCK1ATG4B
SCHEMBL353725 0.74 ROCK1 (0.66) ROCK2ROCK1ATG4BEPHX2
SCHEMBL354019 0.74 ROCK1 (0.68) ROCK2ROCK1ATG4BEPHX2
SCHEMBL7301734 0.74 SMN1; SMN2 (0.67) ROCK2ROCK1MEN1MAPTKMT2A

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 5 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
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 4747/4885MEN1 4239/4885

“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.