SCHEMBL2961835

SCHEMBL2961835

CC(=O)Nc1ccc(Sc2ccc(Br)cc2[N+](=O)[O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
PAX8 Q06710 1/20 0.51
THRB P10828 1/20 0.48
PDE7A Q13946 1/20 0.48
HTT P42858 3/20 0.47
ALDH1A1 P00352 4/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
GAA P10253 3/20 0.46
LMNA P02545 4/20 0.46
ALOX12 P18054 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
POLB P06746 1/20 0.45
PLA2G4A P47712 1/20 0.45

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
SCHEMBL810531 0.86 MAPT (0.56) MAPTSMN1; SMN2PAX8THRBPDE7A
SCHEMBL2017427 0.86 PAX8 (0.52) MAPTSMN1; SMN2PAX8THRBPDE7A
SCHEMBL2960875 0.82 MAPT (0.70) MAPTSMN1; SMN2THRBPDE7AHTT
SCHEMBL2954774 0.82 THRB (0.71) MAPTSMN1; SMN2PAX8THRBPDE7A
SCHEMBL810343 0.80 MAPT (0.50) MAPTSMN1; SMN2PDE7AHTTALDH1A1
SCHEMBL2971539 0.79 HDAC1 (0.53) MAPTSMN1; SMN2PAX8HTTALDH1A1
SCHEMBL810256 0.79 PAX8 (0.50) MAPTSMN1; SMN2PAX8THRBPDE7A
SCHEMBL1455459 0.78 MAPT (0.60) MAPTSMN1; SMN2PDE7AHTTALDH1A1
SCHEMBL2962041 0.78 PDE7A (0.65) MAPTPAX8THRBPDE7AHTT
SCHEMBL1455627 0.77 MAPT (0.59) MAPTSMN1; SMN2PDE7AHTTALDH1A1

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 6 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
US-20070232645-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 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 MAPT 1347/4885SMN1; SMN2 3135/4885PAX8 3837/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 MAPT 1347/4885SMN1; SMN2 3135/4885PAX8 3837/4885

“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.