SCHEMBL810343

SCHEMBL810343

O=[N+]([O-])c1cc(Br)ccc1Sc1ccc(O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.50
PDE7A Q13946 6/20 0.50
PDE7B Q9NP56 4/20 0.50
ALDH1A1 P00352 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
LMNA P02545 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
HTT P42858 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
ALOX12 P18054 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4D Q08499 1/20 0.47
TXNRD1 Q16881 1/20 0.46
TXNRD3 Q86VQ6 1/20 0.46
TXNRD2 Q9NNW7 1/20 0.46
HPGD P15428 1/20 0.46
PLA2G4A P47712 1/20 0.45
GAA P10253 1/20 0.43
POLB P06746 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
SCHEMBL1454766 0.87 PDE7A (0.55) MAPTPDE7APDE7BALDH1A1SMN1; SMN2
SCHEMBL2968440 0.84 PDE7A (0.68) MAPTPDE7APDE7BALDH1A1SMN1; SMN2
SCHEMBL10387589 0.84 TXNRD1 (0.63) MAPTPDE7APDE7BSMN1; SMN2LMNA
SCHEMBL810183 0.82 MAPT (0.64) MAPTPDE7APDE7BALDH1A1LMNA
SCHEMBL810614 0.82 PDE7A (0.65) MAPTPDE7APDE7BALDH1A1SMN1; SMN2
SCHEMBL2961961 0.81 MAPT (0.51) MAPTPDE7APDE7BALDH1A1SMN1; SMN2
SCHEMBL811364 0.80 AGER (0.52) MAPTPDE7APDE7BALDH1A1SMN1; SMN2
SCHEMBL1455780 0.80 MAPT (0.55) MAPTPDE7AALDH1A1SMN1; SMN2LMNA
SCHEMBL1455459 0.80 MAPT (0.60) MAPTPDE7AALDH1A1SMN1; SMN2LMNA
SCHEMBL2961835 0.80 MAPT (0.52) MAPTPDE7AALDH1A1SMN1; SMN2LMNA

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 7 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
CN-101443334-A Anti-viral compounds ABBOTT LAB (US) 2009-05-27 CN 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 1347/4885PDE7A 4223/4885PDE7B 4176/4885

“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.