SCHEMBL412399

SCHEMBL412399

CCC(N)C(O)c1ccnc(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
MAPK1 P28482 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
LOX P28300 1/20 0.45
LOXL2 Q9Y4K0 1/20 0.45
KCNB1 Q14721 1/20 0.37
ROCK2 O75116 1/20 0.37
ACHE P22303 1/20 0.36
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
NFKB1 P19838 1/20 0.35
AAK1 Q2M2I8 4/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
CYP3A4 P08684 1/20 0.34
FFAR1 O14842 1/20 0.33
ACACB O00763 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL412390 0.83 KDM4E (0.46) KDM4EMAPK1TDP1LOXLOXL2
SCHEMBL22585542 0.80 LOX (0.44) LOXLOXL2KCNB1ROCK2ACHE
Hydrochloric Acid SCHEMBL25421219 0.78 CTSA (0.39) LOXLOXL2KCNB1CYP3A4L3MBTL1
Hydrochloric Acid SCHEMBL25421221 0.78 CTSA (0.39) LOXLOXL2KCNB1CYP3A4L3MBTL1
SCHEMBL18707542 0.77 LOX (0.49) LOXLOXL2KCNB1ROCK2AAK1
SCHEMBL23232246 0.77 LOX (0.52) LOXLOXL2KCNB1ROCK2AAK1
SCHEMBL18765766 0.76 LOX (0.49) LOXLOXL2KCNB1ROCK2AAK1
SCHEMBL413205 0.76 LOX (0.37) LOXLOXL2KCNB1ROCK2ACHE
SCHEMBL805096 0.76 LOX (0.47) LOXLOXL2KCNB1ROCK2AAK1
SCHEMBL23232245 0.75 LOX (0.50) LOXLOXL2KCNB1ROCK2AAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065173-A1 CHEMICAL COMPOUNDS BERGER MARKUS (DE) 2012-03-15 US disclosed
US-20120065173-A1 CHEMICAL COMPOUNDS BERGER MARKUS (DE) 2012-03-15 US disclosed
US-8030340-B2 Moderators of glucocorticoids receptor; antiinflamamtory agents; chronic obstructive pulmonary disease ASTRAZENECA AB (SE) 2011-10-04 US disclosed
US-8030340-B2 Moderators of glucocorticoids receptor; antiinflamamtory agents; chronic obstructive pulmonary disease ASTRAZENECA AB (SE) 2011-10-04 US disclosed
US-8030340-B2 Moderators of glucocorticoids receptor; antiinflamamtory agents; chronic obstructive pulmonary disease ASTRAZENECA AB (SE) 2011-10-04 US disclosed
US-20080207721-A1 Chemical compounds BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-08-28 US disclosed
US-20080207721-A1 Chemical compounds BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-08-28 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 (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 KDM4E 3800/4885MAPK1 531/4885TDP1 4701/4885
US-20120065173-A1 CHEMICAL COMPOUNDS NR3C1, NR3C2, MC2R KDM4E 3844/4885MAPK1 547/4885TDP1 4703/4885

“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.