SCHEMBL2016083

SCHEMBL2016083

COC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.67
HPGD P15428 3/20 0.67
NPSR1 Q6W5P4 1/20 0.67
PDE7A Q13946 1/20 0.64
TDP1 Q9NUW8 1/20 0.62
MAPT P10636 3/20 0.59
POLB P06746 2/20 0.59
KMT2A Q03164 3/20 0.58
MEN1 O00255 1/20 0.58
LMNA P02545 5/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
USP10 Q14694 1/20 0.51
MAPK1 P28482 2/20 0.49
TP53 P04637 1/20 0.49
HTT P42858 1/20 0.49

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
SCHEMBL2655846 0.90 TDP1 (0.62) ALDH1A1HPGDNPSR1PDE7ATDP1
SCHEMBL2960341 0.87 PDE7A (0.67) ALDH1A1HPGDNPSR1PDE7ATDP1
SCHEMBL2960770 0.86 TDP1 (0.58) ALDH1A1HPGDNPSR1PDE7ATDP1
SCHEMBL2968600 0.86 PDE7A (0.62) ALDH1A1HPGDNPSR1PDE7ATDP1
SCHEMBL2023299 0.85 PDE7A (0.68) ALDH1A1HPGDNPSR1PDE7ATDP1
SCHEMBL2016906 0.85 PDE7A (0.68) ALDH1A1HPGDNPSR1PDE7ATDP1
SCHEMBL10789757 0.85 TDP1 (0.84) ALDH1A1HPGDNPSR1PDE7ATDP1
SCHEMBL2961786 0.84 PDE7A (0.74) ALDH1A1HPGDNPSR1PDE7ATDP1
SCHEMBL29780387 0.83 PDE7A (0.82) ALDH1A1HPGDPDE7ATDP1MAPT
SCHEMBL5863266 0.83 PDE7A (0.82) ALDH1A1HPGDPDE7ATDP1MAPT

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 12 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-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 ALDH1A1 2723/4885HPGD 3704/4885NPSR1 3949/4885
US-20070232645-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 ALDH1A1 2723/4885HPGD 3704/4885NPSR1 3949/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 ALDH1A1 2723/4885HPGD 3704/4885NPSR1 3949/4885

“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.