SCHEMBL352295

SCHEMBL352295

CN(Cc1nsc(NC(=O)NCc2cccc(F)c2)n1)C(=O)c1cc(Cl)n[nH]c1=O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.43
ROCK1 Q13464 2/20 0.43
EPHX2 P34913 1/20 0.42
MAPT P10636 2/20 0.40
ATG4B Q9Y4P1 1/20 0.39
MAPK1 P28482 4/20 0.39
NAMPT P43490 3/20 0.38
NPC1 O15118 1/20 0.38
AURKA O14965 2/20 0.38
AURKB Q96GD4 2/20 0.38
CDK8 P49336 1/20 0.38
IDH1 O75874 1/20 0.37
MMP3 P08254 1/20 0.36
TP53 P04637 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRL1 P41146 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
SCHEMBL19119260 0.88 ROCK2 (0.42) ROCK2ROCK1EPHX2MAPTATG4B
SCHEMBL354617 0.88 ROCK2 (0.49) ROCK2ROCK1EPHX2ATG4BMAPK1
SCHEMBL354016 0.85 L3MBTL1 (0.44) ROCK2ROCK1MAPTATG4BMAPK1
SCHEMBL353270 0.82 ROCK2 (0.45) ROCK2ROCK1EPHX2MAPTATG4B
SCHEMBL353291 0.81 ROCK2 (0.48) ROCK2ROCK1EPHX2MAPTATG4B
SCHEMBL354447 0.80 ROCK2 (0.51) ROCK2ROCK1EPHX2ATG4BNAMPT
SCHEMBL19119139 0.80 MAPK1 (0.44) ROCK2ROCK1EPHX2MAPTATG4B
Cyclopentane SCHEMBL19119283 0.79 ROCK2 (0.50) ROCK2ROCK1EPHX2MAPTATG4B
Cyclohexane SCHEMBL19119453 0.79 ROCK2 (0.50) ROCK2ROCK1EPHX2MAPTATG4B
SCHEMBL353094 0.79 ROCK2 (0.42) ROCK2ROCK1EPHX2MAPTATG4B

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 4747/4885EPHX2 4031/4885

“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.