SCHEMBL2968607

SCHEMBL2968607

O=[N+]([O-])c1cc(COc2ccc(Br)cc2)ccc1Br

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.52
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CA7 P43166 2/20 0.52
CA9 Q16790 2/20 0.52
APP P05067 1/20 0.47
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
MAOB P27338 4/20 0.46
MRGPRX4 Q96LA9 1/20 0.46
PPARG P37231 1/20 0.45
PPARD Q03181 1/20 0.45
PPARA Q07869 1/20 0.45
FFAR1 O14842 2/20 0.44
FFAR4 Q5NUL3 2/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 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
SCHEMBL2971668 0.88 PTGES (0.54) CA12CA1CA2CA7CA9
SCHEMBL2968274 0.86 MAOB (0.60) MAOBMRGPRX4MEN1MAPTKMT2A
SCHEMBL12509542 0.81 ALDH1A1 (0.43) MEN1MAPTKMT2ANPC1ALDH1A1
SCHEMBL28599275 0.81 ALDH1A1 (0.45) MEN1MAPTKMT2AALDH1A1SMN1; SMN2
SCHEMBL6841659 0.81 TLR4 (0.53) MAOBMRGPRX4MEN1MAPTKMT2A
SCHEMBL1163442 0.79 MAOB (0.54) CA12CA1CA2CA7CA9
SCHEMBL29547926 0.79 MAOB (0.54) CA12CA1CA2CA7CA9
SCHEMBL12566978 0.78 CA12 (0.66) CA12CA1CA2CA7CA9
SCHEMBL31634172 0.78 CA12 (0.66) CA12CA1CA2CA7CA9
SCHEMBL2961961 0.78 MAPT (0.51) CA12CA1CA2CA7CA9

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 CA12 4243/4885CA1 4871/4885CA2 4753/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 CA12 4243/4885CA1 4871/4885CA2 4753/4885

“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.