SCHEMBL353682

SCHEMBL353682

CN(Cc1csc(NC(=O)NCc2ccc(Cl)s2)n1)C(=O)c1cc(Cl)c2c(c1)OCO2

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 6/20 0.40
CPT1B Q92523 6/20 0.40
CPT2 P23786 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
NPC1 O15118 2/20 0.35
ROCK1 Q13464 3/20 0.35
ROCK2 O75116 2/20 0.35
PRKACA P17612 1/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HPGD P15428 1/20 0.33
BCHE P06276 1/20 0.33
POLB P06746 1/20 0.33
CASP6 P55212 1/20 0.33
F10 P00742 1/20 0.33
RAB9A P51151 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
SCHEMBL19119462 0.88 CPT1A (0.37) CPT1ACPT1BCPT2SMN1; SMN2NPC1
SCHEMBL352916 0.87 HPGD (0.33) CPT1ACPT1BCPT2SMN1; SMN2NPC1
SCHEMBL352851 0.86 ROCK2 (0.46) CPT1ACPT1BCPT2ROCK1ROCK2
SCHEMBL352290 0.79 RAB9A (0.35) SMN1; SMN2NPC1ROCK1ROCK2LMNA
SCHEMBL354409 0.78 HPGD (0.46) SMN1; SMN2NPC1ROCK2LMNAMEN1
SCHEMBL353459 0.78 KMT2A (0.38) SMN1; SMN2NPC1ROCK1ROCK2KDM4E
SCHEMBL354863 0.77 KMT2A (0.39) SMN1; SMN2NPC1ROCK1ROCK2KDM4E
SCHEMBL354067 0.76 F10 (0.38) SMN1; SMN2NPC1ROCK1ROCK2LMNA
SCHEMBL355250 0.76 KMT2A (0.38) SMN1; SMN2NPC1ROCK1ROCK2KDM4E
SCHEMBL352881 0.76 KMT2A (0.40) SMN1; SMN2NPC1ROCK1ROCK2KDM4E

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 CPT1A 1765/4885CPT1B 2732/4885CPT2 2004/4885

“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.