SCHEMBL2017427

SCHEMBL2017427

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.52
MAPT P10636 8/20 0.51
THRB P10828 1/20 0.49
PDE7A Q13946 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
LMNA P02545 4/20 0.48
GAA P10253 2/20 0.48
HTT P42858 3/20 0.48
ALDH1A1 P00352 5/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
CA12 O43570 1/20 0.47
BRD4 O60885 1/20 0.47
NR1I2 O75469 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
MB P02144 1/20 0.47
CYP1A1 P04798 1/20 0.47
CA3 P07451 1/20 0.47
CYP3A4 P08684 1/20 0.47

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 0.87 MAPT (0.56) PAX8MAPTTHRBPDE7ASMN1; SMN2
SCHEMBL2961835 0.86 MAPT (0.52) PAX8MAPTTHRBPDE7ASMN1; SMN2
SCHEMBL1454766 0.83 PDE7A (0.55) MAPTPDE7ASMN1; SMN2LMNAGAA
SCHEMBL2960875 0.83 MAPT (0.70) MAPTTHRBPDE7ASMN1; SMN2LMNA
SCHEMBL2954774 0.83 THRB (0.71) PAX8MAPTTHRBPDE7ASMN1; SMN2
SCHEMBL810256 0.82 PAX8 (0.50) PAX8MAPTTHRBPDE7ASMN1; SMN2
SCHEMBL2021181 0.79 MAPT (0.53) PAX8MAPTSMN1; SMN2LMNAGAA
SCHEMBL2962041 0.79 PDE7A (0.65) PAX8MAPTTHRBPDE7ALMNA
SCHEMBL1455459 0.76 MAPT (0.60) MAPTPDE7ASMN1; SMN2LMNAGAA
SCHEMBL1455374 0.76 MAPT (0.56) MAPTPDE7ASMN1; SMN2GAAHTT

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 13 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
CN-102702194-A Anti-viral compounds ABBOTT LAB 2012-10-03 CN disclosed
US-8236950-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2012-08-07 US disclosed
US-20110160233-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-30 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
EP-2094276-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2009-09-02 EP disclosed
CN-101384592-A Antiviral compounds ABBOTT LAB (US) 2009-03-11 CN disclosed
WO-2008133753-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2008-11-06 WO 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 (3 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 PAX8 3837/4885MAPT 1347/4885THRB 4833/4885
US-20070232645-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 PAX8 3837/4885MAPT 1347/4885THRB 4833/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 PAX8 3837/4885MAPT 1347/4885THRB 4833/4885

“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.