SCHEMBL352736

SCHEMBL352736

COc1ccc(CN(Cc2csc(NC(=O)NCc3ccc(Cl)c(Cl)c3)n2)C(=O)c2c(C)noc2C)c(OC)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 4/20 0.40
ROCK2 O75116 3/20 0.40
P2RX7 Q99572 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
AKR1C3 P42330 1/20 0.37
MEN1 O00255 1/20 0.37
PTGS2 P35354 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
LMNA P02545 2/20 0.36
THRB P10828 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CSNK1D P48730 1/20 0.36

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
SCHEMBL354560 0.86 P2RX7 (0.47) ROCK1ROCK2P2RX7L3MBTL1GSK3A
SCHEMBL354369 0.85 P2RX7 (0.44) ROCK1ROCK2P2RX7L3MBTL1KMT2A
SCHEMBL351707 0.84 P2RX7 (0.46) ROCK1ROCK2P2RX7L3MBTL1GSK3A
SCHEMBL4781265 0.83 POLB (0.48) ROCK1ROCK2L3MBTL1GSK3AGSK3B
SCHEMBL353096 0.82 P2RX7 (0.46) ROCK1ROCK2P2RX7GSK3AGSK3B
SCHEMBL354314 0.81 P2RX7 (0.44) ROCK1ROCK2P2RX7GSK3AGSK3B
SCHEMBL353118 0.79 ROCK1 (0.47) ROCK1ROCK2KMT2AMEN1ALDH1A1
SCHEMBL351753 0.78 ROCK1 (0.45) ROCK1ROCK2GSK3AGSK3BKMT2A
SCHEMBL883885 0.78 P2RX7 (0.45) ROCK1ROCK2P2RX7GSK3AGSK3B
SCHEMBL4795390 0.77 ROCK1 (0.45) ROCK1ROCK2KMT2ARAB9AALDH1A1

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 4626/4885P2RX7 2058/4885

“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.