SCHEMBL4725668

SCHEMBL4725668

O=C(NCc1ccc(Cl)c(Cl)c1)Nc1nc(CSc2nccs2)cs1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 15/20 0.45
ROCK2 O75116 14/20 0.45
MAPT P10636 2/20 0.43
TRPV1 Q8NER1 1/20 0.43
MAPK1 P28482 3/20 0.41
AURKA O14965 1/20 0.41
DYRK3 O43781 1/20 0.41
PRKD3 O94806 1/20 0.41
PRKCG P05129 1/20 0.41
PRKACA P17612 1/20 0.41
RPS6KB1 P23443 1/20 0.41
MARK3 P27448 1/20 0.41
AKT1 P31749 1/20 0.41
CSNK1D P48730 1/20 0.41
CLK2 P49760 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
RPS6KA3 P51812 1/20 0.41
PRKX P51817 1/20 0.41
LIMK1 P53667 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
SCHEMBL4777130 0.85 ALDH1A1 (0.43) ROCK1ROCK2TRPV1MAPK1AURKA
SCHEMBL3513598 0.83 ROCK1 (0.43) ROCK1ROCK2MAPTTRPV1MAPK1
SCHEMBL4777212 0.83 ROCK1 (0.49) ROCK1ROCK2MAPTTRPV1MAPK1
SCHEMBL4777145 0.81 SCD (0.51) ROCK1ROCK2TRPV1MAPK1AURKA
SCHEMBL353663 0.81 KMT2A (0.51) ROCK1ROCK2TRPV1MAPK1AURKA
SCHEMBL4725347 0.80 ROCK1 (0.47) ROCK1ROCK2MAPTMAPK1AURKA
SCHEMBL4725167 0.80 ROCK1 (0.52) ROCK1ROCK2RPS6KB1CSNK1DGSK3A
SCHEMBL351643 0.80 ROCK1 (0.49) ROCK1ROCK2TRPV1MAPK1AURKA
SCHEMBL4778918 0.80 ROCK1 (0.55) ROCK1ROCK2MAPTMAPK1TSHR
SCHEMBL353214 0.79 ROCK1 (0.48) ROCK1ROCK2MAPTTRPV1MAPK1

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 6 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
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 4405/4885MAPT 2119/4885

“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.