SCHEMBL810233

SCHEMBL810233

O=[N+]([O-])c1cc(OCc2ccc(Br)cc2)ccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.50
MAPT P10636 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
MAOB P27338 10/20 0.48
MAOA P21397 8/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
APP P05067 1/20 0.45
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL2964633 0.89 MAOB (0.52) MAPTMAOBMAOAAPPSMN1; SMN2
SCHEMBL4382272 0.86 MAOA (0.49) MAPTMAOBMAOASMN1; SMN2
SCHEMBL810695 0.86 MAPT (0.58) MAPTMEN1KMT2AMAOBAPP
SCHEMBL811395 0.86 MAOB (0.50) MAPTMAOBMAOASMN1; SMN2
SCHEMBL810159 0.86 MAOB (0.50) MAPTMEN1KMT2AMAOBMAOA
SCHEMBL29463873 0.86 MEN1 (0.53) MAPTMEN1KMT2AMAOBMAOA
SCHEMBL810842 0.86 MEN1 (0.53) MAPTMEN1KMT2AMAOBMAOA
SCHEMBL810443 0.85 MAOB (0.56) MAOBMAOA
SCHEMBL5064909 0.83 BCL2 (0.46) MAPTMAOBMAOASMN1; SMN2
SCHEMBL810308 0.83 VCAM1 (0.61) MAPTMAOBMAOASMN1; SMN2

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 14 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
US-7763731-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2010-07-27 US disclosed
CN-101443334-A Anti-viral compounds ABBOTT LAB (US) 2009-05-27 CN disclosed
CN-101384592-A Antiviral compounds ABBOTT LAB (US) 2009-03-11 CN 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 SIRT2 1386/4885MAPT 1347/4885MEN1 4571/4885
US-20070232645-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 SIRT2 1386/4885MAPT 1347/4885MEN1 4571/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 SIRT2 1386/4885MAPT 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.