SCHEMBL355285

SCHEMBL355285

Cc1noc(C)c1C(=O)N(C)Cc1csc(NC(=O)NCc2ccc3ncoc3c2)n1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.37
ROCK1 Q13464 5/20 0.37
NPC1 O15118 6/20 0.37
RAB9A P51151 6/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GAA P10253 1/20 0.34
LMNA P02545 2/20 0.34
THRB P10828 1/20 0.34
TP53 P04637 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TAS2R8 Q9NYW2 1/20 0.33

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
SCHEMBL352208 0.87 ROCK2 (0.39) ROCK2ROCK1NPC1RAB9AALDH1A1
SCHEMBL352109 0.87 KMT2A (0.39) ROCK2ROCK1NPC1RAB9AALDH1A1
SCHEMBL353096 0.85 P2RX7 (0.46) ROCK2ROCK1NPC1RAB9AGAA
SCHEMBL353019 0.84 ROCK2 (0.48) ROCK2ROCK1NPC1RAB9AALDH1A1
SCHEMBL355403 0.84 GAA (0.51) ROCK2ROCK1NPC1RAB9ASMN1; SMN2
SCHEMBL354558 0.83 GAA (0.46) NPC1RAB9AALDH1A1SMN1; SMN2GAA
SCHEMBL354143 0.83 TAS2R8 (0.39) ROCK2ROCK1NPC1RAB9AALDH1A1
SCHEMBL354437 0.83 ROCK1 (0.51) ROCK2ROCK1NPC1RAB9AALDH1A1
SCHEMBL355123 0.83 ROCK2 (0.51) ROCK2ROCK1NPC1RAB9AGAA
SCHEMBL352938 0.82 KLKB1 (0.39) ROCK2ROCK1NPC1RAB9AGAA

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
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-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

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 ROCK2 4626/4885ROCK1 4747/4885NPC1 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.