SCHEMBL4966906

SCHEMBL4966906

O/N=C(/CNc1ccc(-c2ccno2)cc1)CC1(c2ccccc2C(F)(F)F)CCC1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.33
BDKRB1 P46663 1/20 0.32
HDAC4 P56524 1/20 0.32
POLB P06746 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PTGS2 P35354 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
SCHEMBL4966914 1.00 EPHX2 (0.33) EPHX2BDKRB1HDAC4POLBCYP1A2
SCHEMBL4967016 0.90 BDKRB1 (0.31) EPHX2BDKRB1HDAC4
SCHEMBL4967009 0.90 BDKRB1 (0.31) EPHX2BDKRB1HDAC4
SCHEMBL4967035 0.86 PDK2 (0.37) EPHX2HDAC4POLBMEN1KMT2A
SCHEMBL14263248 0.86 PDK2 (0.37) EPHX2HDAC4POLBMEN1KMT2A
SCHEMBL4966757 0.86 PDK2 (0.37) EPHX2HDAC4POLBMEN1KMT2A
SCHEMBL4969666 0.80 EPHX2 (0.41) EPHX2BDKRB1HDAC4POLBMEN1
SCHEMBL14263249 0.77 HDAC1 (0.41) EPHX2MEN1KMT2A
SCHEMBL4967413 0.77 HDAC1 (0.41) EPHX2MEN1KMT2A
SCHEMBL4967406 0.77 HDAC1 (0.41) EPHX2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963287-A1 GLUCOCORTICOID RECEPTOR MODULATORS AS ANTIINFLAMMATORY AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2008-09-03 EP claimed
US-7348322-B2 Glucocorticoid receptor modulators as antiinflammatory agents ROCHE PALO ALTO LLC (US) 2008-03-25 US claimed
US-20070135427-A1 Glucocorticoid receptor modulators as antiinflammatory agents ROCHE PALO ALTO LLC 2007-06-14 US claimed
WO-2007065828-A1 GLUCOCORTICOID RECEPTOR MODULATORS AS ANTIINFLAMMATORY AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2007-06-14 WO claimed

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-20070135427-A1 Glucocorticoid receptor modulators as antiinflammatory agents NR3C1, MC2R, NR3C2 EPHX2 1311/4885BDKRB1 83/4885HDAC4 1263/4885

“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.