SCHEMBL1455403

SCHEMBL1455403

CCOC(=O)c1cc([N+](=O)[O-])c(Sc2ccc(NC(=O)OCC3c4ccccc4-c4ccccc43)cc2)s1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.46
▸ USP47 Q96K76 7/20 0.45
▸ USP7 Q93009 10/20 0.41
▸ PADI4 Q9UM07 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ GAA P10253 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ USP10 Q14694 1/20 0.40
▸ KMT2A Q03164 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL1455508 0.86 EPHX2 (0.46) EPHX2ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL1454993 0.77 USP7 (0.57) USP47USP7PADI4ALDH1A1SMN1; SMN2
SCHEMBL1453962 0.75 MAPT (0.47) EPHX2ALDH1A1GAASMN1; SMN2KMT2A
SCHEMBL1455594 0.75 USP7 (0.55) USP47USP7PADI4ALDH1A1GAA
SCHEMBL1455692 0.75 EPHX2 (0.46) EPHX2ALDH1A1GAASMN1; SMN2KMT2A
SCHEMBL14914206 0.74 EPHX2 (0.58) EPHX2ALDH1A1GAASMN1; SMN2KMT2A
SCHEMBL5013263 0.74 EPHX2 (0.35) EPHX2KMT2AMEN1
SCHEMBL1455020 0.73 ABL1 (0.37) EPHX2
SCHEMBL1454235 0.72 HTT (0.43) EPHX2ALDH1A1GAASMN1; SMN2KMT2A
SCHEMBL1455717 0.72 MAPT (0.43) EPHX2ALDH1A1GAASMN1; SMN2KMT2A

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
US-8236950-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2012-08-07 — — US disclosed
EP-1979348-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2012-01-18 — — EP disclosed
US-20110160233-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-30 — — US disclosed
US-7910595-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2011-03-22 — — US disclosed
EP-2094276-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2009-09-02 — — EP disclosed
WO-2008133753-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2008-11-06 — — WO disclosed
EP-1979348-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-10-15 — — EP disclosed
US-20070232627-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 — — US disclosed
WO-2007076034-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-05 — — 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-20110160233-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 EPHX2 3223/4885USP47 1620/4885USP7 1912/4885
US-20070232627-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 EPHX2 3223/4885USP47 1620/4885USP7 1912/4885

“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.

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