SCHEMBL2968274

SCHEMBL2968274

O=[N+]([O-])c1cc(COc2cccc(Br)c2)ccc1Br

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 14/20 0.60
MAOA P21397 4/20 0.55
MRGPRX4 Q96LA9 1/20 0.52
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 1/20 0.49
MEN1 O00255 2/20 0.48
MAPT P10636 2/20 0.48
KMT2A Q03164 2/20 0.48
SOD1 P00441 1/20 0.45
LMNA P02545 1/20 0.44
HPGD P15428 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
SCHEMBL2971668 0.89 PTGES (0.54) MAOBMAOANPC1RAB9ASMN1; SMN2
SCHEMBL2968607 0.86 CA12 (0.52) MAOBMAOAMRGPRX4NPC1RAB9A
SCHEMBL810682 0.82 MAOB (0.67) MAOBMAOAMRGPRX4NPC1RAB9A
SCHEMBL6841659 0.81 TLR4 (0.53) MAOBMAOAMRGPRX4NPC1RAB9A
SCHEMBL811151 0.80 MAPT (0.48) MAOBMAOAMRGPRX4NPC1RAB9A
SCHEMBL29547926 0.80 MAOB (0.54) MAOBMAOANPC1RAB9AMEN1
SCHEMBL1163442 0.80 MAOB (0.54) MAOBMAOANPC1RAB9AMEN1
SCHEMBL12509542 0.79 ALDH1A1 (0.43) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL28599275 0.79 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1MEN1MAPTKMT2A
SCHEMBL810443 0.77 MAOB (0.56) MAOBMAOA

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 8 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
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

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 3771/4885MRGPRX4 3393/4885
US-20100256139-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.