SCHEMBL353247

SCHEMBL353247

Cc1ccc(S(N)(=O)=O)cc1C(=O)N(C)Cc1nsc(NC(=O)NCc2cccc(F)c2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.46
NAMPT P43490 6/20 0.43
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
EPHX2 P34913 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
IDH1 O75874 1/20 0.40
HCRTR1 O43613 1/20 0.40
NPC1 O15118 1/20 0.39
AURKA O14965 1/20 0.39
CDK8 P49336 1/20 0.39
AURKB Q96GD4 1/20 0.39
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
LIMK2 P53671 1/20 0.37
MAPK1 P28482 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
SCHEMBL353558 0.88 ROCK2 (0.48) KMT2ANAMPTROCK2ROCK1EPHX2
SCHEMBL353815 0.84 ROCK2 (0.42) NAMPTROCK2ROCK1EPHX2ATG4B
SCHEMBL353291 0.84 ROCK2 (0.48) KMT2ANAMPTROCK2ROCK1EPHX2
SCHEMBL353272 0.83 KMT2A (0.37) KMT2ANAMPTHCRTR1CA12CA1
SCHEMBL354447 0.83 ROCK2 (0.51) NAMPTROCK2ROCK1EPHX2ATG4B
SCHEMBL352804 0.81 ROCK2 (0.48) NAMPTROCK2ROCK1EPHX2ATG4B
SCHEMBL19119519 0.79 ROCK2 (0.40) NAMPTROCK2ROCK1EPHX2ATG4B
SCHEMBL353730 0.79 SLC26A6 (0.44) KMT2ANAMPTROCK2ROCK1EPHX2
SCHEMBL353974 0.79 ROCK2 (0.44) KMT2ANAMPTROCK2ROCK1EPHX2
Cyclohexane SCHEMBL19119453 0.78 ROCK2 (0.50) KMT2ANAMPTROCK2ROCK1EPHX2

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 KMT2A 1210/4885NAMPT 262/4885ROCK2 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.