SCHEMBL2960397

SCHEMBL2960397

O=[N+]([O-])c1cccc(OCc2ccc(Br)cc2)c1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.66
MEN1 O00255 2/20 0.66
KMT2A Q03164 2/20 0.66
MAOB P27338 9/20 0.62
MAOA P21397 4/20 0.57
SMPD1 P17405 1/20 0.53
CHRNB2 P17787 1/20 0.52
CHRNA4 P43681 1/20 0.52
RAB9A P51151 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
CYP19A1 P11511 2/20 0.51

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
SCHEMBL30443578 0.86 MAOB (0.63) MAPTMEN1KMT2AMAOBMAOA
SCHEMBL2965418 0.86 MAOB (0.63) MAPTMEN1KMT2AMAOBMAOA
SCHEMBL18429630 0.85 APP (0.59) MAPTMEN1KMT2AMAOBMAOA
SCHEMBL25920598 0.85 MAPT (0.62) MAPTMEN1KMT2AMAOBMAOA
SCHEMBL9795659 0.85 MAOB (0.62) MAPTMEN1KMT2AMAOBMAOA
SCHEMBL18304358 0.85 MAOB (0.62) MAPTMEN1KMT2AMAOBMAOA
SCHEMBL9796044 0.84 TLR4 (0.63) MAOBMAOACHRNB2CHRNA4RAB9A
SCHEMBL2872357 0.84 MEN1 (0.58) MAPTMEN1KMT2AMAOBMAOA
SCHEMBL810682 0.84 MAOB (0.67) MAPTMEN1KMT2AMAOBMAOA
SCHEMBL25920602 0.84 MAOB (0.64) MAPTMEN1KMT2AMAOBMAOA

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 MAPT 1347/4885MEN1 4571/4885KMT2A 3566/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 MAPT 1347/4885MEN1 4571/4885KMT2A 3566/4885

“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.