SCHEMBL352830

SCHEMBL352830

Cc1nn(C)c(C)c1C(=O)N(C)Cc1csc(NC(=O)NCc2csc(Cl)c2)n1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SHMT2 P34897 1/20 0.36
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
KMT2A Q03164 1/20 0.36
ROCK1 Q13464 11/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 2/20 0.36
ROCK2 O75116 9/20 0.35
ENPP2 Q13822 1/20 0.33
MAPT P10636 2/20 0.32

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
SCHEMBL353525 0.86 RAB9A (0.38) SHMT2RAB9ANPC1KMT2AROCK1
SCHEMBL19118751 0.86 LMNA (0.36) SHMT2RAB9ANPC1KMT2AROCK1
SCHEMBL354122 0.84 ROCK2 (0.50) ROCK1ROCK2
SCHEMBL353678 0.84 ROCK1 (0.36) ROCK1SMN1; SMN2LMNAROCK2MAPT
SCHEMBL352380 0.82 ROCK1 (0.39) RAB9AROCK1LMNAROCK2
SCHEMBL354220 0.82 ROCK1 (0.38) ROCK1SMN1; SMN2LMNAROCK2MAPT
SCHEMBL352918 0.80 ROCK2 (0.49) ROCK1ROCK2
SCHEMBL352961 0.80 KMT2A (0.37) RAB9ANPC1KMT2AROCK1SMN1; SMN2
SCHEMBL19119542 0.76 ROCK1 (0.40) ROCK1LMNAROCK2
SCHEMBL353839 0.75 ROCK2 (0.47) ROCK1ROCK2

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 4 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
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 SHMT2 1707/4885RAB9A 1714/4885NPC1 3444/4885

“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.