SCHEMBL4796237

SCHEMBL4796237

CN(Cc1nsc(NC(=O)NCc2cccc(F)c2)n1)C1CCS(=O)(=O)C1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
ATG4B Q9Y4P1 1/20 0.41
NPC1 O15118 1/20 0.39
AURKA O14965 1/20 0.39
CDK8 P49336 1/20 0.39
AURKB Q96GD4 1/20 0.39
MAP4K4 O95819 1/20 0.39
NAMPT P43490 2/20 0.38
EPHX2 P34913 1/20 0.38
TP53 P04637 3/20 0.38
MAPT P10636 2/20 0.38
HSD17B10 Q99714 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL354670 0.87 ROCK2 (0.43) POLBROCK2ROCK1ATG4BNPC1
SCHEMBL4782324 0.86 LMNA (0.39) ROCK2ROCK1AURKAAURKBMAPT
SCHEMBL4960664 0.85 ROCK2 (0.51) POLBROCK2ROCK1ATG4BMAP4K4
SCHEMBL19119379 0.85 ROCK2 (0.42) POLBROCK2ROCK1ATG4BNPC1
SCHEMBL19119463 0.80 ROCK2 (0.48) POLBROCK2ROCK1ATG4BNPC1
SCHEMBL354401 0.80 ROCK2 (0.47) POLBROCK2ROCK1ATG4BNPC1
Cyclopentane SCHEMBL19119283 0.79 ROCK2 (0.50) ROCK2ROCK1ATG4BNPC1AURKA
Cyclohexane SCHEMBL19119453 0.79 ROCK2 (0.50) ROCK2ROCK1ATG4BNPC1AURKA
SCHEMBL354589 0.79 ROCK2 (0.47) POLBROCK2ROCK1ATG4BNPC1
SCHEMBL352913 0.78 ROCK2 (0.48) ROCK2ROCK1ATG4BNPC1AURKA

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
US-8716320-B2 Antibacteriall heterocyclic ureas REPLIDYNE, INC. (US) 2014-05-06 US claimed
US-20080207703-A1 Antibacterial heterocyclic ureas REPLIDYNE, INC. (US) 2008-08-28 US claimed
WO-2008011191-A1 ANTIBACTERIAL HETEROCYCLIC UREAS REPLIDYNE, INC. (US) 2008-01-24 WO claimed
US-8716320-B2 Antibacteriall heterocyclic ureas REPLIDYNE, INC. (US) 2014-05-06 US disclosed
US-20080207703-A1 Antibacterial heterocyclic ureas REPLIDYNE, INC. (US) 2008-08-28 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-20080207703-A1 Antibacterial heterocyclic ureas UMPS, UROD, UGP2 POLB 781/4885ROCK2 4405/4885ROCK1 4331/4885

“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.