SCHEMBL810656

SCHEMBL810656

COc1ccc(Sc2ccc(C)cc2[N+](=O)[O-])cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.58
MAPT P10636 5/20 0.58
ALDH1A1 P00352 4/20 0.58
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
LMNA P02545 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54
ALOX12 P18054 1/20 0.54
HTT P42858 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.51
HPGD P15428 1/20 0.51
MAPK1 P28482 1/20 0.50
HTR1A P08908 2/20 0.48
HTR3A P46098 2/20 0.48
IDO1 P14902 1/20 0.48
PDE7A Q13946 3/20 0.48
PDE7B Q9NP56 2/20 0.48
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
SLC6A2 P23975 1/20 0.47

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
SCHEMBL22208236 0.91 TDP1 (0.62) TDP1MAPTALDH1A1MEN1KMT2A
SCHEMBL29442449 0.91 TDP1 (0.62) TDP1MAPTALDH1A1MEN1KMT2A
SCHEMBL14486355 0.88 TDP1 (0.51) TDP1MAPTALDH1A1MEN1KMT2A
SCHEMBL2959825 0.88 MAPT (0.71) TDP1MAPTALDH1A1MEN1KMT2A
SCHEMBL2968079 0.85 MAPT (0.57) TDP1MAPTALDH1A1MEN1KMT2A
SCHEMBL811285 0.84 PDE7A (0.60) TDP1MAPTALDH1A1MEN1KMT2A
SCHEMBL2954753 0.83 NPC1 (0.56) TDP1MAPTALDH1A1MEN1KMT2A
SCHEMBL810183 0.82 MAPT (0.64) TDP1MAPTALDH1A1MEN1KMT2A
SCHEMBL810705 0.82 PDE7A (0.65) TDP1MAPTALDH1A1MEN1KMT2A
SCHEMBL810289 0.82 PDE7A (0.68) TDP1MAPTALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338605-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2012-12-25 US disclosed
EP-1971611-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2012-10-10 EP disclosed
EP-2345652-A1 Antiviral compounds Abbott Laboratories (US) 2011-07-20 EP disclosed
US-7915411-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2011-03-29 US disclosed
US-20100256139-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2010-10-07 US disclosed
EP-1979349-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2010-07-28 EP disclosed
US-7763731-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2010-07-27 US disclosed
EP-1979349-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-10-15 EP disclosed
EP-1971611-A1 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-09-24 EP disclosed
US-20070232645-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 US 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
WO-2007076035-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 (3 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 TDP1 4336/4885MAPT 1347/4885ALDH1A1 2723/4885
US-20070232645-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 TDP1 4336/4885MAPT 1347/4885ALDH1A1 2723/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 TDP1 4336/4885MAPT 1347/4885ALDH1A1 2723/4885

“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.