SCHEMBL413205

SCHEMBL413205

CCC(C(O)c1ccnc(OC)c1)[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOX P28300 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.37
KCNB1 Q14721 1/20 0.36
ROCK2 O75116 1/20 0.34
FFAR1 O14842 1/20 0.33
ACACB O00763 1/20 0.32
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
IDO1 P14902 1/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
POLB P06746 1/20 0.32
PABPC1 P11940 1/20 0.32
TXNRD1 Q16881 1/20 0.32
PGR P06401 1/20 0.31
AR P10275 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP2C19 P33261 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31

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
SCHEMBL413217 0.82 LOX (0.36) LOXLOXL2KCNB1ROCK2FFAR1
SCHEMBL412399 0.76 KDM4E (0.49) LOXLOXL2KCNB1ROCK2FFAR1
SCHEMBL22585542 0.75 LOX (0.44) LOXLOXL2KCNB1ROCK2FFAR1
SCHEMBL15676131 0.75 KMT2A (0.49) MEN1KMT2AALDH1A1MAPTCYP1A2
SCHEMBL15676130 0.75 KMT2A (0.49) MEN1KMT2AALDH1A1MAPTCYP1A2
SCHEMBL11795337 0.72 GAA (0.43) MEN1KMT2AALDH1A1CYP2C19MAPT
SCHEMBL18707542 0.72 LOX (0.49) LOXLOXL2KCNB1ROCK2FFAR1
SCHEMBL412390 0.71 KDM4E (0.46) LOXLOXL2MEN1KMT2APOLB
SCHEMBL805096 0.70 LOX (0.47) LOXLOXL2KCNB1ROCK2ACACB
SCHEMBL10393559 0.70 LMNA (0.47) MEN1KMT2AALDH1A1CYP2C19CYP3A4

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
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-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 LOX 2970/4885LOXL2 4092/4885KCNB1 1549/4885
US-20120065173-A1 CHEMICAL COMPOUNDS NR3C1, NR3C2, MC2R LOX 2908/4885LOXL2 4086/4885KCNB1 1568/4885

“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.