SCHEMBL810495

SCHEMBL810495

O=C(Nc1ccc(Sc2ccc(O)cc2)c([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
RXFP1 Q9HBX9 3/20 0.50
KCNK3 O14649 2/20 0.50
PTGS1 P23219 2/20 0.49
P2RX1 P51575 1/20 0.49
LMNA P02545 1/20 0.49
GPR17 Q13304 1/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
HTT P42858 2/20 0.48
RAB9A P51151 1/20 0.48
KCNK9 Q9NPC2 1/20 0.47
POLB P06746 2/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
GAA P10253 1/20 0.47
ESR1 P03372 1/20 0.46
KCNQ3 O43525 1/20 0.45
KCNQ2 O43526 1/20 0.45
KCNE1 P15382 1/20 0.45
KCNQ1 P51787 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
SCHEMBL1454927 0.91 MEN1 (0.55) MAPTRXFP1KCNK3PTGS1P2RX1
SCHEMBL1455640 0.90 MAPT (0.54) MAPTRXFP1KCNK3PTGS1P2RX1
SCHEMBL1455674 0.87 KMT2A (0.48) MAPTKCNK3LMNAGPR17MEN1
SCHEMBL27873034 0.86 MEN1 (0.45) MAPTRXFP1KCNK3PTGS1P2RX1
SCHEMBL1455374 0.85 MAPT (0.56) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL811386 0.84 PTGS1 (0.59) MAPTRXFP1KCNK3PTGS1P2RX1
SCHEMBL1456334 0.80 CRHBP (0.55) MAPTRXFP1KCNK3LMNAGPR17
SCHEMBL811365 0.80 MAPT (0.60) MAPTRXFP1KCNK3PTGS1P2RX1
SCHEMBL11253450 0.79 MAPT (0.59) MAPTLMNAMEN1KMT2AHTT
SCHEMBL1455780 0.79 MAPT (0.55) MAPTLMNAMEN1KMT2AHTT

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
EP-1971611-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2012-10-10 EP 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-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
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
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 (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-20070197558-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 MAPT 1347/4885RXFP1 4616/4885KCNK3 4617/4885
US-20070232627-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 MAPT 1347/4885RXFP1 4616/4885KCNK3 4617/4885

“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.