SCHEMBL810976

SCHEMBL810976

O=[N+]([O-])c1cc(OCc2cc(F)ccc2F)ccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1C Q13936 1/20 0.43
INPPL1 O15357 1/20 0.43
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 4/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
RAF1 P04049 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
GFER P55789 1/20 0.40
PAX8 Q06710 1/20 0.40
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
PTGES O14684 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
VCAM1 P19320 3/20 0.38
PSEN1 P49768 1/20 0.38

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
SCHEMBL27743930 0.92 INPPL1 (0.42) INPPL1ATMTDP1ALDH1A1LMNA
SCHEMBL810159 0.83 MAOB (0.50) ALDH1A1LMNAMAPTCA12CA9
SCHEMBL810582 0.80 MAOB (0.55) MAOB
SCHEMBL1335673 0.79 ATM (0.42) CACNA1CATMTDP1ALDH1A1LMNA
SCHEMBL810925 0.77 PDE7A (0.51) CACNA1CTDP1ALDH1A1LMNAMAPT
SCHEMBL2964633 0.77 MAOB (0.52) LMNAMAPTSMN1; SMN2MAOB
SCHEMBL13577170 0.77 CACNA1C (0.60) CACNA1CINPPL1CA12CA9MAOB
SCHEMBL810727 0.76 PDE7A (0.49) TDP1ALDH1A1LMNAMAPTL3MBTL1
SCHEMBL810907 0.75 PARP10 (0.46) ALDH1A1LMNAMAPTRAF1HPGD
SCHEMBL810526 0.75 ALDH1A1 (0.54) ALDH1A1LMNAMAPTRAF1HPGD

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 10 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
US-8236950-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2012-08-07 US 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
EP-2094276-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2009-09-02 EP disclosed
WO-2008133753-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2008-11-06 WO disclosed
EP-1971611-A1 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-09-24 EP 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

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-20110160233-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 CACNA1C 4713/4885INPPL1 3728/4885ATM 4463/4885
US-20070197558-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 CACNA1C 4713/4885INPPL1 3728/4885ATM 4463/4885

“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.