SCHEMBL440214

SCHEMBL440214

CCC(N)(O)Cc1ccnc(OC)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 6/20 0.57
LOX P28300 4/20 0.57
SLC13A5 Q86YT5 1/20 0.38
FFAR1 O14842 1/20 0.36
GRM2 Q14416 1/20 0.35
CHRM1 P11229 1/20 0.35
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
AAK1 Q2M2I8 1/20 0.34
CDK2 P24941 2/20 0.33
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
PIK3CA P42336 1/20 0.33
MTOR P42345 1/20 0.33
ACACB O00763 1/20 0.33
NR3C2 P08235 1/20 0.33
GSK3B P49841 1/20 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
SCHEMBL441300 0.84 LOXL2 (0.60) LOXL2LOXSLC13A5FFAR1GRM2
SCHEMBL13028811 0.79 LOXL2 (0.65) LOXL2LOXSLC13A5FFAR1GRM2
SCHEMBL4384241 0.76 LOXL2 (0.57) LOXL2LOXSLC13A5FFAR1GRM2
SCHEMBL17541267 0.76 LOXL2 (0.61) LOXL2LOXSLC13A5FFAR1GRM2
SCHEMBL12093687 0.75 LOXL2 (0.65) LOXL2LOXSLC13A5FFAR1NOS3
SCHEMBL805488 0.75 LOXL2 (0.69) LOXL2LOXSLC13A5FFAR1NOS3
SCHEMBL449200 0.73 LOXL2 (1.00) LOXL2LOX
SCHEMBL17752 0.73 LOXL2 (0.67) LOXL2LOXSLC13A5FFAR1GRM2
SCHEMBL29841247 0.73 LOXL2 (0.67) LOXL2LOXSLC13A5FFAR1GRM2
Hydrochloric Acid SCHEMBL463199 0.72 LOXL2 (0.96) LOXL2LOX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2097384-B1 INDOZALYL SULPHONAMIDE DERIVATIVES USEFUL AS GLUCOCORTICOID MODULATORS ASTRAZENECA AB (SE) 2012-09-12 EP disclosed
US-20120065173-A1 CHEMICAL COMPOUNDS BERGER MARKUS (DE) 2012-03-15 US disclosed
EP-2097384-A1 INDOZALYL SULPHONAMIDE DERIVATIVES USEFUL AS GLUCOCORTICOID MODULATORS AstraZeneca AB (SE) 2009-09-09 EP disclosed
US-20080207721-A1 Chemical compounds BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-08-28 US disclosed
WO-2008063116-A1 INDOZALYL SULPHONAMIDE DERIVATIVES USEFUL AS GLUCOCORTICOID MODULATORS ASTRAZENECA AB (SE) 2008-05-29 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 (2 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-20080207721-A1 Chemical compounds NR3C1, NR3C2, MC2R LOXL2 4092/4885LOX 2970/4885SLC13A5 1432/4885
US-20120065173-A1 CHEMICAL COMPOUNDS NR3C1, NR3C2, MC2R LOXL2 4086/4885LOX 2908/4885SLC13A5 1446/4885

“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.