SCHEMBL1454993

SCHEMBL1454993

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP7 Q93009 9/20 0.57
▸ PADI4 Q9UM07 1/20 0.57
▸ USP47 Q96K76 6/20 0.56
▸ USP10 Q14694 2/20 0.51
▸ GSTP1 P09211 1/20 0.45
▸ GSTM2 P28161 1/20 0.45
▸ MAPT P10636 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.41
▸ POLB P06746 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ ESR1 P03372 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ ESR2 Q92731 1/20 0.41

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
SCHEMBL1455594 0.91 USP7 (0.55) USP7PADI4USP47USP10GSTP1
SCHEMBL1455298 0.81 USP47 (0.65) USP7PADI4USP47USP10MAPT
SCHEMBL2681208 0.78 USP7 (0.73) USP7PADI4USP47USP10MAPT
SCHEMBL2680847 0.77 USP7 (0.72) USP7USP47
SCHEMBL1455403 0.77 EPHX2 (0.46) USP7PADI4USP47USP10TDP1
SCHEMBL17977297 0.76 USP10 (0.58) USP10MAPTLMNANPSR1TDP1
SCHEMBL7017708 0.75 USP10 (0.57) USP10MAPTLMNANPSR1ALDH1A1
SCHEMBL1455300 0.74 USP10 (0.56) USP10MAPTLMNANPSR1TDP1
SCHEMBL28786633 0.74 USP10 (0.56) USP10MAPTLMNANPSR1ALDH1A1
SCHEMBL3878737 0.74 USP10 (0.56) USP10MAPTLMNANPSR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1979348-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2012-01-18 — — EP disclosed
US-7910595-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2011-03-22 — — US disclosed
CN-101384591-A Antiviral compounds ABBOTT LAB (US) 2009-03-11 — — CN 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 (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-20070232627-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 USP7 1912/4885PADI4 3547/4885USP47 1620/4885

“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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