SCHEMBL10278980

SCHEMBL10278980

CC(C)NCc1csc(NC(=O)NCc2ccc(Cl)c(I)c2)n1

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 18/20 0.44
ROCK2 O75116 17/20 0.44

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
SCHEMBL354540 0.91 ROCK1 (0.46) ROCK1ROCK2
SCHEMBL10278978 0.87 ROCK1 (0.44) ROCK1ROCK2
SCHEMBL10279303 0.83 ROCK1 (0.44) ROCK1ROCK2
SCHEMBL10279478 0.82 ROCK1 (0.44) ROCK1ROCK2
SCHEMBL353214 0.79 ROCK1 (0.48) ROCK1ROCK2
SCHEMBL351643 0.78 ROCK1 (0.49) ROCK1ROCK2
SCHEMBL353373 0.77 ROCK1 (0.47) ROCK1ROCK2
SCHEMBL353663 0.76 KMT2A (0.51) ROCK1ROCK2
SCHEMBL4777145 0.76 SCD (0.51) ROCK1ROCK2
SCHEMBL4726379 0.75 TSHR (0.51) ROCK1ROCK2

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 2 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 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 ROCK1 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.