SCHEMBL810682

SCHEMBL810682

O=[N+]([O-])c1cccc(COc2cccc(Br)c2)c1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 12/20 0.67
MAOA P21397 3/20 0.60
MRGPRX4 Q96LA9 1/20 0.57
MEN1 O00255 1/20 0.55
MAPT P10636 1/20 0.55
KMT2A Q03164 1/20 0.55
NPC1 O15118 1/20 0.53
ALDH1A1 P00352 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL6599866 0.85 MAOB (0.68) MAOBMAOAMEN1MAPTKMT2A
SCHEMBL13192710 0.84 MAOB (0.70) MAOBMAOAALDH1A1
SCHEMBL2960397 0.84 MAPT (0.66) MAOBMAOAMEN1MAPTKMT2A
SCHEMBL4639987 0.83 MAOB (0.64) MAOBMAOAALDH1A1
SCHEMBL7921889 0.83 MAOB (0.68) MAOBMAOAMEN1KMT2A
SCHEMBL25920602 0.82 MAOB (0.64) MAOBMAOAMEN1MAPTKMT2A
SCHEMBL30443578 0.82 MAOB (0.63) MAOBMAOAMEN1MAPTKMT2A
SCHEMBL2965418 0.82 MAOB (0.63) MAOBMAOAMEN1MAPTKMT2A
SCHEMBL2968274 0.82 MAOB (0.60) MAOBMAOAMRGPRX4MEN1MAPT
SCHEMBL13192706 0.81 MAOB (0.54) MAOBMAOAMEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108358791-A A kind of preparation method of 3- nitros -4- benzyloxy -2- bromoacetophenones 南京法恩化学有限公司 2018-08-03 CN disclosed
EP-1971611-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2012-10-10 EP disclosed
US-8236950-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2012-08-07 US disclosed
EP-2345652-A1 Antiviral compounds Abbott Laboratories (US) 2011-07-20 EP disclosed
US-20110160233-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-30 US disclosed
US-7915411-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2011-03-29 US disclosed
EP-2094276-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2009-09-02 EP disclosed
CN-101443334-A Anti-viral compounds ABBOTT LAB (US) 2009-05-27 CN disclosed
WO-2008133753-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2008-11-06 WO 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 (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-20110160233-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 MAOB 3352/4885MAOA 3771/4885MRGPRX4 3393/4885
US-20070197558-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 MAOB 3352/4885MAOA 3771/4885MRGPRX4 3393/4885

“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.