SCHEMBL352939

SCHEMBL352939

CN(Cc1nsc(NC(=O)NCc2cccc(F)c2)n1)C(=O)C1Cc2ccccc2O1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.42
ROCK1 Q13464 1/20 0.42
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
ATG4B Q9Y4P1 1/20 0.39
NPC1 O15118 1/20 0.37
NAMPT P43490 3/20 0.36
EPHX2 P34913 1/20 0.36
MAPT P10636 3/20 0.36
TP53 P04637 2/20 0.36
AURKA O14965 1/20 0.36
CDK8 P49336 1/20 0.36
AURKB Q96GD4 1/20 0.36
GLS O94925 2/20 0.35
LMNA P02545 1/20 0.35
SCD5 Q86SK9 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PAX8 Q06710 1/20 0.35
NLRP3 Q96P20 1/20 0.35

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
SCHEMBL353743 0.88 ROCK1 (0.48) ROCK2ROCK1ATG4B
SCHEMBL19119134 0.87 ROCK2 (0.41) ROCK2ROCK1ALDH1A1TSHRATG4B
SCHEMBL351943 0.83 ROCK2 (0.44) ROCK2ROCK1ALDH1A1TSHRATG4B
SCHEMBL352265 0.83 ALDH1A1 (0.41) ROCK2ALDH1A1TSHRNPC1TP53
SCHEMBL354401 0.82 ROCK2 (0.47) ROCK2ROCK1ATG4BNPC1NAMPT
SCHEMBL354589 0.81 ROCK2 (0.47) ROCK2ROCK1ATG4BNPC1NAMPT
SCHEMBL353954 0.80 ROCK2 (0.47) ROCK2ROCK1ATG4BKMT2A
Cyclopentane SCHEMBL19119283 0.80 ROCK2 (0.50) ROCK2ROCK1ATG4BNPC1NAMPT
Cyclohexane SCHEMBL19119453 0.80 ROCK2 (0.50) ROCK2ROCK1ATG4BNPC1NAMPT
SCHEMBL19119463 0.80 ROCK2 (0.48) ROCK2ROCK1ATG4BNPC1NAMPT

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 4747/4885ALDH1A1 2806/4885

“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.