SCHEMBL2964633

SCHEMBL2964633

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

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 12/20 0.52
MAOA P21397 9/20 0.52
TLR4 O00206 1/20 0.52
TLR2 O60603 1/20 0.52
APP P05067 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
BCL2 P10415 1/20 0.47
NR4A2 P43354 2/20 0.47
MAPT P10636 1/20 0.46

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
SCHEMBL810695 0.89 MAPT (0.58) MAOBTLR4TLR2APPSMN1; SMN2
SCHEMBL810159 0.89 MAOB (0.50) MAOBMAOATLR4TLR2APP
SCHEMBL810233 0.89 SIRT2 (0.50) MAOBMAOAAPPSMN1; SMN2MAPT
SCHEMBL811395 0.89 MAOB (0.50) MAOBMAOASMN1; SMN2LMNANPSR1
SCHEMBL810842 0.88 MEN1 (0.53) MAOBMAOATLR4TLR2SMN1; SMN2
SCHEMBL29463873 0.88 MEN1 (0.53) MAOBMAOATLR4TLR2SMN1; SMN2
SCHEMBL6643739 0.86 MAOB (0.50) MAOBMAOATLR4TLR2APP
SCHEMBL5064909 0.85 BCL2 (0.46) MAOBMAOASMN1; SMN2LMNABCL2
SCHEMBL811221 0.85 APP (0.49) MAOBAPPSMN1; SMN2LMNANPSR1
SCHEMBL810308 0.85 VCAM1 (0.61) MAOBMAOASMN1; SMN2MAPT

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 11 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
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-1642895-B1 Novel substituted naphthopyrans TRANSITIONS OPTICAL INC (US) 2010-03-31 EP 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
US-20070232645-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 US disclosed
WO-2007076035-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-05 WO disclosed
EP-1642895-A2 Novel substituted naphthopyrans TRANSITIONS OPTICAL, INC. (US) 2006-04-05 EP disclosed
US-5651923-A PHOTOCHROMIC ARTICLE TRANSITIONS OPTICAL, INC. (US) 1997-07-29 US 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 (2 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-20070232645-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 MAOB 3352/4885MAOA 3771/4885TLR4 1341/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 MAOB 3352/4885MAOA 3771/4885TLR4 1341/4885

“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.