SCHEMBL351886

SCHEMBL351886

CN(Cc1nsc(NC(=O)NCc2cccc(F)c2)n1)C(=O)c1nn(C)c(=O)c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 3/20 0.43
POLB P06746 1/20 0.43
PKM P14618 1/20 0.43
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
MAPT P10636 3/20 0.40
TP53 P04637 2/20 0.40
GAA P10253 1/20 0.40
ATG4B Q9Y4P1 1/20 0.39
LMNA P02545 2/20 0.39
MAPK1 P28482 1/20 0.38
CASP3 P42574 1/20 0.38
KDM4E B2RXH2 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 1/20 0.38
USP2 O75604 1/20 0.38
HTT P42858 1/20 0.38
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
SCHEMBL19118749 0.88 ROCK2 (0.42) SMN1; SMN2ALDH1A1POLBPKMROCK2
SCHEMBL353632 0.88 ROCK2 (0.49) SMN1; SMN2ALDH1A1POLBPKMROCK2
SCHEMBL354016 0.85 L3MBTL1 (0.44) ROCK2ROCK1MAPTTP53ATG4B
SCHEMBL353858 0.84 HTT (0.42) SMN1; SMN2ALDH1A1POLBPKMMAPT
SCHEMBL352803 0.83 ROCK2 (0.44) ROCK2ROCK1ATG4BMAPK1NPC1
SCHEMBL352804 0.81 ROCK2 (0.48) ROCK2ROCK1MAPTTP53ATG4B
SCHEMBL352957 0.81 ROCK2 (0.43) SMN1; SMN2ROCK2ROCK1ATG4BMAPK1
SCHEMBL353291 0.81 ROCK2 (0.48) ROCK2ROCK1MAPTTP53ATG4B
SCHEMBL354440 0.80 ROCK2 (0.43) ALDH1A1ROCK2ROCK1MAPTTP53
SCHEMBL353153 0.80 ROCK2 (0.43) ROCK2ROCK1MAPTTP53ATG4B

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 SMN1; SMN2 2356/4885ALDH1A1 2806/4885POLB 1884/4885

“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.