SCHEMBL353737

SCHEMBL353737

CN(Cc1nsc(NC(=O)NCc2cccc(F)c2)n1)C(=O)c1cccnc1N1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
LMNA P02545 2/20 0.40
ATG4B Q9Y4P1 1/20 0.40
NAMPT P43490 3/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
CALCA P06881 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
AURKA O14965 1/20 0.38
CDK8 P49336 1/20 0.38
AURKB Q96GD4 1/20 0.38
POLB P06746 2/20 0.37
EPHX2 P34913 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
TP53 P04637 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 1/20 0.36

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
SCHEMBL353208 0.94 ROCK2 (0.41) ROCK2ROCK1LMNAATG4BNAMPT
SCHEMBL353550 0.88 ROCK2 (0.49) ROCK2ROCK1LMNAATG4BNAMPT
SCHEMBL354215 0.83 TSHR (0.35) NAMPTALDH1A1TSHRHSD17B10EPHX2
SCHEMBL352905 0.82 ROCK2 (0.47) ROCK2ROCK1ATG4BNAMPTTRPV1
Cyclopentane SCHEMBL19119283 0.81 ROCK2 (0.50) ROCK2ROCK1LMNAATG4BNAMPT
Cyclohexane SCHEMBL19119453 0.81 ROCK2 (0.50) ROCK2ROCK1LMNAATG4BNAMPT
SCHEMBL354447 0.80 ROCK2 (0.51) ROCK2ROCK1LMNAATG4BNAMPT
SCHEMBL352804 0.80 ROCK2 (0.48) ROCK2ROCK1LMNAATG4BNAMPT
SCHEMBL353291 0.79 ROCK2 (0.48) ROCK2ROCK1LMNAATG4BNAMPT
SCHEMBL353153 0.78 ROCK2 (0.43) ROCK2ROCK1LMNAATG4BNAMPT

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 4747/4885LMNA 4293/4885

“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.