SCHEMBL10071086

SCHEMBL10071086

O=[N+]([O-])c1cccc(-c2cccnc2COc2cc(Cl)ccc2I)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.40
PDE4B Q07343 1/20 0.40
KMT2A Q03164 2/20 0.39
CYP19A1 P11511 2/20 0.39
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
PDE4D Q08499 4/20 0.39
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
S1PR4 O95977 1/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
PTGER1 P34995 1/20 0.38
TOP1 P11387 1/20 0.38
PELI1 Q96FA3 2/20 0.38
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL5106270 0.76 ALDH1A1 (0.59) ALDH1A1TDP1MAPTKEAP1NFE2L2
SCHEMBL2082945 0.75 PDE4D (0.51) PDE4APDE4BKMT2APDE4DALDH1A1
SCHEMBL27652747 0.72 PDE4D (0.53) PDE4APDE4BKMT2APDE4DALDH1A1
SCHEMBL396650 0.71 S1PR4 (0.41) KMT2AALDH1A1TDP1S1PR4MAPT
SCHEMBL23293733 0.67 MAP4K4 (0.59) PDE4APDE4BPDE4DALDH1A1TDP1
SCHEMBL27097026 0.67 KMT2A (0.53) KMT2AALDH1A1S1PR4MAPTMEN1
SCHEMBL20557569 0.67 ALDH1A1 (0.61) ALDH1A1TDP1MAPTKEAP1NFE2L2
SCHEMBL30469330 0.67 ALDH1A1 (0.61) ALDH1A1TDP1MAPTKEAP1NFE2L2
SCHEMBL7445324 0.66 PDE4D (0.71) PDE4APDE4BKMT2APDE4DALDH1A1
SCHEMBL30530456 0.66 ALDH1A1 (0.59) ALDH1A1TDP1MAPTKEAP1NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101760-B2 Glucocorticoid receptor modulator and methods of use ELI LILLY AND COMPANY (US) 2012-01-24 US disclosed
US-20100069425-A1 GLUCOCORTICOID RECEPTOR MODULATOR AND METHODS OF USE ELI LILLY AND COMPANY (US) 2010-03-18 US disclosed
WO-2008008882-A2 GLUCOCORTICOID RECEPTOR MODULATOR AND METHODS OF USE ELI LILLY AND COMPANY (US) 2008-01-17 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 (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-20100069425-A1 GLUCOCORTICOID RECEPTOR MODULATOR AND METHODS OF USE NR3C1, NR3C2, MC2R PDE4A 649/4885PDE4B 701/4885KMT2A 4003/4885

“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.