SCHEMBL412390

SCHEMBL412390

COc1cc(C(O)C(C)N)ccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.46
RECQL P46063 4/20 0.46
TDP1 Q9NUW8 4/20 0.46
LMNA P02545 4/20 0.46
MAPT P10636 3/20 0.46
HIF1A Q16665 3/20 0.46
BLM P54132 2/20 0.46
KMT2A Q03164 2/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
THPO P40225 1/20 0.46
HSD17B10 Q99714 1/20 0.46
POLB P06746 1/20 0.46
APEX1 P27695 1/20 0.46
MTOR P42345 1/20 0.46
ADRA1A P35348 2/20 0.45
ADRB1 P08588 1/20 0.45
MIF P14174 1/20 0.45
HTR2A P28223 1/20 0.45

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
SCHEMBL22585542 0.88 LOX (0.44) LOXLOXL2
SCHEMBL412399 0.83 KDM4E (0.49) KDM4ETDP1BLMNFKB1LOX
SCHEMBL9366832 0.82 LOX (0.46) LOXLOXL2
SCHEMBL22369466 0.82 LOX (0.50) MTORLOXLOXL2
SCHEMBL23232245 0.82 LOX (0.50) MTORLOXLOXL2
SCHEMBL23232590 0.82 LOX (0.50) MTORLOXLOXL2
SCHEMBL14206071 0.81 LOX (0.39) ALOX15TSHRNFKB1THPOHSD17B10
SCHEMBL23232246 0.80 LOX (0.52) LOXLOXL2
SCHEMBL17000208 0.79 LOX (0.46) LOXLOXL2
SCHEMBL19863984 0.79 LOX (0.46) LOXLOXL2

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 9 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
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
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 KDM4E 3800/4885RECQL 3847/4885TDP1 4701/4885
US-20120065173-A1 CHEMICAL COMPOUNDS NR3C1, NR3C2, MC2R KDM4E 3844/4885RECQL 3837/4885TDP1 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.