SCHEMBL353283

SCHEMBL353283

Cc1noc(C)c1C(=O)N(CCN)Cc1csc(NC(=O)NCc2cccc(F)c2)n1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 11/20 0.47
ROCK2 O75116 10/20 0.47
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
ATG4B Q9Y4P1 1/20 0.38
GAA P10253 2/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
EPHX2 P34913 1/20 0.37
TAS2R8 Q9NYW2 1/20 0.37
AURKA O14965 1/20 0.37
AURKB Q96GD4 1/20 0.37

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
SCHEMBL352247 0.89 ROCK2 (0.47) ROCK1ROCK2NPC1RAB9AATG4B
SCHEMBL352695 0.89 ROCK2 (0.44) ROCK1ROCK2NPC1RAB9AATG4B
SCHEMBL355123 0.88 ROCK2 (0.51) ROCK1ROCK2NPC1RAB9AATG4B
SCHEMBL354438 0.82 ROCK1 (0.49) ROCK1ROCK2ATG4BEPHX2TAS2R8
SCHEMBL354196 0.82 ROCK2 (0.52) ROCK1ROCK2NPC1RAB9AATG4B
SCHEMBL353886 0.80 ROCK2 (0.49) ROCK1ROCK2ATG4BEPHX2TAS2R8
SCHEMBL353432 0.80 ROCK2 (0.49) ROCK1ROCK2NPC1RAB9AATG4B
SCHEMBL351593 0.80 ROCK2 (0.49) ROCK1ROCK2ATG4BGAATSHR
SCHEMBL352833 0.80 ROCK2 (0.49) ROCK1ROCK2ATG4BGAATSHR
SCHEMBL351707 0.80 P2RX7 (0.46) ROCK1ROCK2GAATSHRKMT2A

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 4626/4885NPC1 3444/4885

“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.