SCHEMBL354784

SCHEMBL354784

CN(Cc1csc(NC(=O)NCc2ccc(Cl)s2)n1)C(=O)C1(c2cccc(F)c2)CCC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.39
ROCK1 Q13464 3/20 0.39
HSD11B1 P28845 3/20 0.38
TRPV1 Q8NER1 1/20 0.36
CFTR P13569 1/20 0.35
RAB9A P51151 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDR P35968 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
SCHEMBL353281 0.90 HSD11B1 (0.43) ROCK2ROCK1HSD11B1RAB9AMAPT
SCHEMBL353072 0.83 ROCK2 (0.51) ROCK2ROCK1ATG4B
SCHEMBL353459 0.82 KMT2A (0.38) ROCK2ROCK1RAB9AMAPTKDM4E
SCHEMBL352880 0.82 ROCK2 (0.51) ROCK2ROCK1HSD11B1ATG4B
SCHEMBL352887 0.79 HSD11B1 (0.41) ROCK2ROCK1HSD11B1RAB9AATG4B
SCHEMBL352911 0.79 HSD11B1 (0.42) ROCK2ROCK1HSD11B1RAB9AMAPT
SCHEMBL354067 0.77 F10 (0.38) ROCK2ROCK1RAB9AALDH1A1LMNA
SCHEMBL352895 0.76 SMN1; SMN2 (0.39) ROCK2ROCK1RAB9AMAPTALDH1A1
SCHEMBL354863 0.76 KMT2A (0.39) ROCK2ROCK1RAB9AMAPTKDM4E
SCHEMBL19119207 0.75 MEN1 (0.38) ROCK2ROCK1RAB9AMAPTKDM4E

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 4747/4885HSD11B1 4561/4885

“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.