SCHEMBL810705

SCHEMBL810705

Cc1ccc(Sc2ccc(F)cc2)c([N+](=O)[O-])c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 4/20 0.65
ALDH1A1 P00352 4/20 0.60
MAPT P10636 4/20 0.60
LMNA P02545 2/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
NPSR1 Q6W5P4 2/20 0.56
ALOX12 P18054 1/20 0.56
HTT P42858 1/20 0.56
TDP1 Q9NUW8 1/20 0.54
IDO1 P14902 2/20 0.53
L3MBTL1 Q9Y468 3/20 0.53
MAPK1 P28482 1/20 0.52
PDE7B Q9NP56 3/20 0.50
TSHR P16473 2/20 0.50
CYP3A4 P08684 1/20 0.50
SLC6A2 P23975 1/20 0.49
SLC6A4 P31645 1/20 0.49
SLC6A3 Q01959 1/20 0.49
PDE4B Q07343 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
SCHEMBL2959825 0.91 MAPT (0.71) PDE7AALDH1A1MAPTLMNAMEN1
SCHEMBL810183 0.85 MAPT (0.64) PDE7AALDH1A1MAPTLMNAMEN1
SCHEMBL810289 0.84 PDE7A (0.68) PDE7AALDH1A1MAPTLMNAMEN1
SCHEMBL810656 0.82 TDP1 (0.58) PDE7AALDH1A1MAPTLMNAMEN1
SCHEMBL2968701 0.81 MAPT (0.85) PDE7AALDH1A1MAPTLMNAMEN1
SCHEMBL2018194 0.81 ALDH1A1 (0.67) PDE7AALDH1A1MAPTLMNAMEN1
SCHEMBL18779474 0.80 MAPT (0.76) PDE7AALDH1A1MAPTLMNAMEN1
SCHEMBL2018440 0.80 ALDH1A1 (0.65) PDE7AALDH1A1MAPTLMNAMEN1
SCHEMBL2963606 0.80 MAPT (0.55) PDE7AALDH1A1MAPTLMNAMEN1
SCHEMBL18376679 0.79 PDE7A (0.62) PDE7AALDH1A1MAPTLMNAMEN1

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 16 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
EP-1971611-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2012-10-10 EP disclosed
CN-102702194-A Anti-viral compounds ABBOTT LAB 2012-10-03 CN disclosed
EP-2345652-A1 Antiviral compounds Abbott Laboratories (US) 2011-07-20 EP disclosed
US-7915411-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2011-03-29 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-101443334-A Anti-viral compounds ABBOTT LAB (US) 2009-05-27 CN 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
EP-1971611-A1 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-09-24 EP disclosed
US-20070232645-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-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-20070197558-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 PDE7A 4223/4885ALDH1A1 2723/4885MAPT 1347/4885
US-20070232645-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 PDE7A 4223/4885ALDH1A1 2723/4885MAPT 1347/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 PDE7A 4223/4885ALDH1A1 2723/4885MAPT 1347/4885

“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.