SCHEMBL810877

SCHEMBL810877

Cc1ccc(Oc2ccc(O)cc2)c([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.55
SMN1; SMN2 Q16637 5/20 0.55
MAPK1 P28482 3/20 0.55
KMT2A Q03164 5/20 0.55
LMNA P02545 4/20 0.55
HTT P42858 2/20 0.55
MAPT P10636 3/20 0.54
MEN1 O00255 3/20 0.54
NPSR1 Q6W5P4 2/20 0.54
HSPB1 P04792 1/20 0.51
HPGD P15428 3/20 0.51
TSHR P16473 2/20 0.50
PDE7A Q13946 1/20 0.50
CYP3A4 P08684 1/20 0.50
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 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
SCHEMBL31090846 0.91 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2MAPK1KMT2ALMNA
SCHEMBL810817 0.86 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2MAPK1KMT2ALMNA
SCHEMBL25518718 0.86 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2MAPK1KMT2ALMNA
SCHEMBL31090813 0.84 HPSE (0.56) ALDH1A1SMN1; SMN2MAPK1KMT2ALMNA
SCHEMBL2967753 0.84 HPSE (0.56) ALDH1A1SMN1; SMN2MAPK1KMT2ALMNA
SCHEMBL10631534 0.84 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2MAPK1KMT2ALMNA
SCHEMBL9687621 0.84 TSHR (0.64) ALDH1A1SMN1; SMN2MAPK1KMT2ALMNA
SCHEMBL10537196 0.83 ALDH1A1 (0.73) ALDH1A1SMN1; SMN2MAPK1KMT2ALMNA
SCHEMBL810516 0.82 PDE7A (0.74) ALDH1A1SMN1; SMN2MAPK1KMT2ALMNA
SCHEMBL25518736 0.80 ALDH1A1 (0.73) ALDH1A1SMN1; SMN2MAPK1KMT2ALMNA

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 15 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
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 ALDH1A1 2723/4885SMN1; SMN2 3135/4885MAPK1 2917/4885
US-20070232645-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 ALDH1A1 2723/4885SMN1; SMN2 3135/4885MAPK1 2917/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 ALDH1A1 2723/4885SMN1; SMN2 3135/4885MAPK1 2917/4885

“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.