SCHEMBL810565

SCHEMBL810565

Nc1cc([N+](=O)[O-])ccc1Sc1ccc(O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.58
THRB P10828 1/20 0.58
PDE7A Q13946 8/20 0.57
TDP1 Q9NUW8 5/20 0.54
MEN1 O00255 2/20 0.54
MAPT P10636 2/20 0.54
KMT2A Q03164 2/20 0.54
KDM4E B2RXH2 1/20 0.54
GFER P55789 1/20 0.54
ATM Q13315 1/20 0.54
PDE7B Q9NP56 2/20 0.47
PDE4B Q07343 1/20 0.47
PDE4D Q08499 1/20 0.47
CYP3A4 P08684 3/20 0.46
ALDH1A1 P00352 2/20 0.46
ALOX15 P16050 1/20 0.46
TXNRD1 Q16881 1/20 0.46
TXNRD3 Q86VQ6 1/20 0.46
TXNRD2 Q9NNW7 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL11707930 0.85 PDE7A (0.57) GAATHRBPDE7ATDP1MEN1
Hydrochloric Acid SCHEMBL11709322 0.84 PDE7A (0.56) GAATHRBPDE7ATDP1MEN1
SCHEMBL6927792 0.79 ERN1 (0.56) GAATHRBPDE7AMEN1MAPT
SCHEMBL1454650 0.78 NR1H2 (0.52) GAATHRBPDE7ATDP1MEN1
SCHEMBL177714 0.78 MAPT (0.66) GAATHRBTDP1MEN1MAPT
SCHEMBL810480 0.77 CTSV (0.49) PDE7AMEN1MAPTKMT2AALDH1A1
SCHEMBL8781019 0.77 KMT2A (0.65) GAATHRBPDE7AMEN1MAPT
SCHEMBL9805799 0.77 GAA (0.63) GAATHRBPDE7ATDP1MEN1
SCHEMBL810614 0.76 PDE7A (0.65) PDE7ATDP1MEN1MAPTKMT2A
SCHEMBL6935214 0.75 GAA (0.46) GAAPDE7AMEN1MAPTKMT2A

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1971611-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2012-10-10 EP disclosed
CN-102702193-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
EP-1979348-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2012-01-18 EP disclosed
EP-2345652-A1 Antiviral compounds Abbott Laboratories (US) 2011-07-20 EP disclosed
US-20110160233-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-30 US disclosed
US-7915411-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2011-03-29 US disclosed
US-7910595-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2011-03-22 US disclosed
EP-2094276-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2009-09-02 EP disclosed
CN-101443334-A Anti-viral compounds ABBOTT LAB (US) 2009-05-27 CN disclosed
CN-101384591-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-1979348-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-10-15 EP disclosed
EP-1971611-A1 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-09-24 EP disclosed
US-20070232627-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 US disclosed
US-20070197558-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-08-23 US disclosed
WO-2007081517-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-19 WO disclosed
WO-2007076034-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 GAA 504/4885THRB 4833/4885PDE7A 4223/4885
US-20070197558-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 GAA 504/4885THRB 4833/4885PDE7A 4223/4885
US-20070232627-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 GAA 504/4885THRB 4833/4885PDE7A 4223/4885

“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.