SCHEMBL351753

SCHEMBL351753

COc1ccc(C(=O)N(C)Cc2csc(NC(=O)NCc3ccc(Cl)c(Cl)c3)n2)c(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 4/20 0.45
ROCK2 O75116 3/20 0.45
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
ALDH1A1 P00352 1/20 0.42
CSNK1D P48730 1/20 0.42
GSK3B P49841 3/20 0.41
GSK3A P49840 2/20 0.41
HSP90AA1 P07900 1/20 0.40
DCLK1 O15075 1/20 0.40
FES P07332 1/20 0.40
PIM1 P11309 1/20 0.40
CDK2 P24941 1/20 0.40
IRAK1 P51617 1/20 0.40
MAP4K2 Q12851 1/20 0.40
NTRK3 Q16288 1/20 0.40
HIPK4 Q8NE63 1/20 0.40
AURKB Q96GD4 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
STK17A Q9UEE5 1/20 0.40

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
SCHEMBL353925 0.88 ROCK1 (0.49) ROCK1ROCK2CSNK1DGSK3BGSK3A
SCHEMBL4781265 0.86 POLB (0.48) ROCK1ROCK2MAPTALDH1A1CSNK1D
SCHEMBL354226 0.85 ROCK1 (0.46) ROCK1ROCK2TP53MAPTALDH1A1
SCHEMBL355271 0.85 LMNA (0.53) ROCK1ROCK2MAPTALDH1A1HSP90AA1
SCHEMBL353118 0.82 ROCK1 (0.47) ROCK1ROCK2ALDH1A1CSNK1DKMT2A
SCHEMBL354451 0.81 TSHR (0.44) ROCK1ROCK2CSNK1DGSK3BGSK3A
SCHEMBL3511697 0.81 ROCK1 (0.47) ROCK1ROCK2TP53MAPTALDH1A1
SCHEMBL354342 0.81 P2RX7 (0.39) ROCK1ROCK2MAPTCSNK1DGSK3B
SCHEMBL4726467 0.81 ROCK1 (0.47) ROCK1ROCK2MAPTCSNK1DGSK3B
SCHEMBL352968 0.80 ROCK1 (0.41) ROCK1ROCK2MAPTCSNK1DGSK3B

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2200440-B1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS CRESTONE INC (US) 2017-07-19 EP claimed
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
EP-2200440-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS Crestone, Inc. (US) 2010-06-30 EP claimed
WO-2009015208-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS REPLIDYNE, INC. (US) 2009-01-29 WO claimed
EP-2200440-B1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS CRESTONE INC (US) 2017-07-19 EP disclosed
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
EP-2200440-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS Crestone, Inc. (US) 2010-06-30 EP disclosed
WO-2009015208-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS REPLIDYNE, INC. (US) 2009-01-29 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-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds NAAA, AADAC, RPSA ROCK1 4747/4885ROCK2 4626/4885TP53 2889/4885

“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.