SCHEMBL352213

SCHEMBL352213

Cc1noc(C)c1C(=O)N(C)Cc1csc(NC(=O)NCc2cccc([N+](=O)[O-])c2)n1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
ROCK1 Q13464 7/20 0.42
ROCK2 O75116 6/20 0.42
OPRM1 P35372 1/20 0.41
OPRK1 P41145 1/20 0.41
ALDH1A1 P00352 1/20 0.40
ATG4B Q9Y4P1 1/20 0.39
PTPN1 P18031 2/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
RAB9A P51151 1/20 0.38
AKR1C3 P42330 1/20 0.38
GAA P10253 1/20 0.38
BAZ1A Q9NRL2 1/20 0.38
ATM Q13315 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
SCHEMBL353935 0.91 POLB (0.51) POLBROCK1ROCK2ALDH1A1MEN1
SCHEMBL355123 0.87 ROCK2 (0.51) ROCK1ROCK2ATG4BMEN1KMT2A
SCHEMBL354437 0.87 ROCK1 (0.51) ROCK1ROCK2ALDH1A1ATG4BMEN1
SCHEMBL355403 0.87 GAA (0.51) ROCK1ROCK2MEN1KMT2ARAB9A
SCHEMBL353262 0.85 ROCK2 (0.43) ROCK1ROCK2ALDH1A1MEN1KMT2A
SCHEMBL353096 0.83 P2RX7 (0.46) ROCK1ROCK2KMT2ARAB9AGAA
SCHEMBL352208 0.83 ROCK2 (0.39) ROCK1ROCK2ALDH1A1KMT2ARAB9A
SCHEMBL353819 0.82 ROCK2 (0.47) ROCK1ROCK2ALDH1A1MEN1KMT2A
SCHEMBL353019 0.82 ROCK2 (0.48) ROCK1ROCK2ALDH1A1MEN1KMT2A
SCHEMBL354033 0.82 RAB9A (0.40) POLBROCK1ROCK2ALDH1A1MEN1

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 POLB 1884/4885ROCK1 4747/4885ROCK2 4626/4885

“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.