SCHEMBL353631

SCHEMBL353631

CC(OCCOc1ccccc1)C(=O)N(C)Cc1csc(NC(=O)NCc2cccc(F)c2)n1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 11/20 0.47
ROCK2 O75116 10/20 0.47
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ATG4B Q9Y4P1 1/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
TP53 P04637 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL352972 0.88 ROCK1 (0.52) ROCK1ROCK2ATG4BLMNA
SCHEMBL352973 0.87 ROCK1 (0.51) ROCK1ROCK2ATG4B
SCHEMBL354710 0.86 ROCK1 (0.54) ROCK1ROCK2ATG4BMAPK1
SCHEMBL352254 0.86 ROCK1 (0.54) ROCK1ROCK2ATG4BMAPK1
SCHEMBL352255 0.86 ROCK1 (0.54) ROCK1ROCK2ATG4BMAPK1
SCHEMBL352990 0.86 ROCK1 (0.50) ROCK1ROCK2ATG4B
SCHEMBL353887 0.85 ROCK1 (0.52) ROCK1ROCK2ATG4B
SCHEMBL354429 0.85 ROCK1 (0.49) ROCK1ROCK2ATG4B
SCHEMBL354244 0.84 ROCK1 (0.56) ROCK1ROCK2ATG4B
SCHEMBL354686 0.84 ROCK1 (0.49) ROCK1ROCK2RAB9AATG4BTP53

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 4626/4885SMN1; SMN2 2356/4885

“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.