SCHEMBL4726089

SCHEMBL4726089

COC(=O)NCCOCc1csc(NC(=O)NCc2ccc(Cl)c(Cl)c2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
ROCK1 Q13464 13/20 0.44
ROCK2 O75116 11/20 0.44
MAPK1 P28482 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
TRPV1 Q8NER1 2/20 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

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
SCHEMBL4778605 0.93 ROCK1 (0.42) TSHRROCK1ROCK2MAPK1SMN1; SMN2
SCHEMBL4780515 0.92 TSHR (0.41) TSHRROCK1ROCK2MAPK1SMN1; SMN2
SCHEMBL4726154 0.91 ROCK1 (0.42) TSHRROCK1ROCK2MAPK1SMN1; SMN2
SCHEMBL4726401 0.91 LMNA (0.42) TSHRROCK1ROCK2MAPK1SMN1; SMN2
SCHEMBL4777271 0.90 ROCK1 (0.48) TSHRROCK1ROCK2MAPK1SMN1; SMN2
SCHEMBL4725491 0.90 ROCK1 (0.47) TSHRROCK1ROCK2MAPK1TRPV1
SCHEMBL4726471 0.90 ROCK1 (0.47) TSHRROCK1ROCK2MAPK1TRPV1
SCHEMBL4780457 0.89 ROCK1 (0.45) TSHRROCK1ROCK2MAPK1TRPV1
SCHEMBL4780046 0.89 TSHR (0.46) TSHRROCK1ROCK2MAPK1SMN1; SMN2
SCHEMBL4725694 0.88 ROCK1 (0.44) TSHRROCK1ROCK2MAPK1TRPV1

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 TSHR 3676/4885ROCK1 4331/4885ROCK2 4405/4885

“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.