SCHEMBL4725167

SCHEMBL4725167

COc1ccc(SCc2csc(NC(=O)NCc3ccc(Cl)c(Cl)c3)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 6/20 0.52
ROCK2 O75116 5/20 0.52
RAB9A P51151 2/20 0.45
GSK3B P49841 7/20 0.45
GSK3A P49840 2/20 0.45
TSHR P16473 1/20 0.43
NPC1 O15118 1/20 0.42
CSNK1D P48730 1/20 0.42
RPS6KB1 P23443 1/20 0.41
CDK2 P24941 1/20 0.41
CDK5 Q00535 1/20 0.41
AURKB Q96GD4 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL4778918 0.90 ROCK1 (0.55) ROCK1ROCK2TSHR
SCHEMBL4777212 0.88 ROCK1 (0.49) ROCK1ROCK2RAB9AGSK3BGSK3A
SCHEMBL4725347 0.87 ROCK1 (0.47) ROCK1ROCK2RAB9AGSK3BGSK3A
SCHEMBL3511578 0.84 ROCK1 (0.52) ROCK1ROCK2RAB9AGSK3BGSK3A
SCHEMBL3512275 0.83 ROCK1 (0.51) ROCK1ROCK2RAB9AGSK3BGSK3A
SCHEMBL3508147 0.83 ROCK1 (0.51) ROCK1ROCK2RAB9AGSK3BGSK3A
SCHEMBL4726379 0.81 TSHR (0.51) ROCK1ROCK2GSK3BGSK3ATSHR
SCHEMBL353925 0.81 ROCK1 (0.49) ROCK1ROCK2RAB9AGSK3BGSK3A
SCHEMBL4777130 0.80 ALDH1A1 (0.43) ROCK1ROCK2GSK3BGSK3ACSNK1D
SCHEMBL4725668 0.80 ROCK1 (0.45) ROCK1ROCK2GSK3BGSK3ATSHR

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
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
WO-2008011191-A1 ANTIBACTERIAL HETEROCYCLIC UREAS REPLIDYNE, INC. (US) 2008-01-24 WO 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 ROCK1 4331/4885ROCK2 4405/4885RAB9A 1509/4885

“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.