SCHEMBL354935

SCHEMBL354935

CN(Cc1csc(NC(=O)NCc2ccc(Cl)c(Cl)c2)n1)C(=O)c1cc(O)no1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.39
ROCK1 Q13464 14/20 0.39
ROCK2 O75116 13/20 0.39
TRPV1 Q8NER1 3/20 0.38
AKT1 P31749 2/20 0.38
GSK3B P49841 2/20 0.38
LIMK1 P53667 2/20 0.38
CDC42BPA Q5VT25 2/20 0.38
AURKA O14965 1/20 0.38
DYRK3 O43781 1/20 0.38
PRKD3 O94806 1/20 0.38
PRKCG P05129 1/20 0.38
PRKACA P17612 1/20 0.38
RPS6KB1 P23443 1/20 0.38
MARK3 P27448 1/20 0.38
MAPK1 P28482 1/20 0.38
CSNK1D P48730 1/20 0.38
CLK2 P49760 1/20 0.38
GSK3A P49840 1/20 0.38
RPS6KA3 P51812 1/20 0.38

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
SCHEMBL353043 0.87 ROCK1 (0.41) ROCK1ROCK2TRPV1AKT1GSK3B
SCHEMBL353637 0.86 RAB9A (0.41) P2RX7ROCK1ROCK2TRPV1AKT1
SCHEMBL354362 0.86 HPGD (0.50) ROCK1ROCK2TRPV1AKT1GSK3B
SCHEMBL352866 0.85 ALDH1A1 (0.49) ROCK1ROCK2TRPV1TSHRMEN1
SCHEMBL353096 0.85 P2RX7 (0.46) P2RX7ROCK1ROCK2TRPV1AKT1
SCHEMBL368487 0.84 ROCK1 (0.39) ROCK1ROCK2TRPV1AKT1GSK3B
SCHEMBL354342 0.84 P2RX7 (0.39) P2RX7ROCK1ROCK2TRPV1AKT1
SCHEMBL352134 0.84 P2RX7 (0.39) P2RX7ROCK1ROCK2TRPV1AKT1
SCHEMBL4726467 0.83 ROCK1 (0.47) ROCK1ROCK2TRPV1AKT1GSK3B
SCHEMBL352630 0.83 ROCK1 (0.39) P2RX7ROCK1ROCK2TRPV1AKT1

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
EP-2200440-B1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS CRESTONE INC (US) 2017-07-19 EP claimed
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-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

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 P2RX7 2058/4885ROCK1 4747/4885ROCK2 4626/4885

“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.