SCHEMBL1478058

SCHEMBL1478058

CC(C)(C)OC(=O)Nc1ccc(Sc2ccc(C=O)cc2[N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.53
MAPT P10636 8/20 0.48
MEN1 O00255 7/20 0.48
KMT2A Q03164 7/20 0.48
HTT P42858 4/20 0.48
LMNA P02545 3/20 0.48
NPSR1 Q6W5P4 2/20 0.48
ALOX12 P18054 1/20 0.48
TDP1 Q9NUW8 2/20 0.47
PLA2G4A P47712 1/20 0.47
GAA P10253 1/20 0.45
HPGD P15428 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
THRB P10828 1/20 0.41
ABCC9 O60706 1/20 0.41
ABCC8 Q09428 1/20 0.41
KCNJ11 Q14654 1/20 0.41
KCNJ8 Q15842 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
SCHEMBL13305747 0.87 MAPT (0.47) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL1454638 0.84 MAPT (0.52) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL15912553 0.83 ALDH1A1 (0.52) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL1456061 0.81 GSTP1 (0.52) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL1455631 0.81 MAPT (0.56) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL810717 0.80 ALDH3A1 (0.51) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL6004342 0.79 ALDH5A1 (0.48) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL29952326 0.79 ALDH5A1 (0.48) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL810684 0.79 ALDH1A1 (0.47) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL821249 0.79 MAPT (0.44) ALDH1A1MAPTMEN1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1971611-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2012-10-10 EP disclosed
US-7915411-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2011-03-29 US disclosed
EP-1971611-A1 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-09-24 EP disclosed
US-20070197558-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-08-23 US disclosed
WO-2007081517-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-19 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-20070197558-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 ALDH1A1 2723/4885MAPT 1347/4885MEN1 4571/4885

“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.