SCHEMBL810541

SCHEMBL810541

COc1ccc(Sc2ccc(NCc3ccccc3)cc2[N+](=O)[O-])cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
NPSR1 Q6W5P4 2/20 0.47
APEX1 P27695 1/20 0.47
NPC1 O15118 2/20 0.47
PDE7A Q13946 1/20 0.45
PDE7B Q9NP56 1/20 0.45
HTT P42858 2/20 0.45
ALDH1A1 P00352 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
GAA P10253 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPK1 P28482 1/20 0.45
HIF1A Q16665 1/20 0.45
HPGD P15428 2/20 0.44
HTR6 P50406 1/20 0.44
LMNA P02545 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL810769 0.85 MAPT (0.48) MAPTMEN1KMT2ATDP1NPSR1
SCHEMBL810863 0.81 MAPT (0.48) MAPTMEN1KMT2ATDP1NPSR1
SCHEMBL4353944 0.79 EGFR (0.52) MAPTMEN1KMT2AAPEX1ALDH1A1
SCHEMBL2960260 0.78 PDE7A (0.62) MAPTMEN1KMT2ATDP1NPSR1
SCHEMBL14486355 0.77 TDP1 (0.51) MAPTMEN1KMT2ATDP1NPSR1
SCHEMBL31577304 0.77 MAPT (0.64) MAPTMEN1KMT2ATDP1NPSR1
SCHEMBL8964795 0.76 SMN1; SMN2 (0.51) MAPTMEN1KMT2ATDP1NPC1
SCHEMBL14166196 0.75 MAPT (0.63) MAPTMEN1KMT2ATDP1APEX1
SCHEMBL810656 0.75 TDP1 (0.58) MAPTMEN1KMT2ATDP1NPSR1
SCHEMBL811364 0.75 AGER (0.52) MAPTMEN1KMT2ATDP1NPSR1

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-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
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 MAPT 1347/4885MEN1 4571/4885KMT2A 3566/4885

“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.