SCHEMBL810256

SCHEMBL810256

CC(=O)Nc1ccc(Sc2cc(O)c(C)cc2[N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.50
ALDH1A1 P00352 5/20 0.48
HTT P42858 3/20 0.46
THRB P10828 1/20 0.45
LMNA P02545 4/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 6/20 0.44
GAA P10253 2/20 0.44
ALOX12 P18054 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALDH3A1 P30838 1/20 0.43
ABCC9 O60706 1/20 0.43
ABCC8 Q09428 1/20 0.43
KCNJ11 Q14654 1/20 0.43
KCNJ8 Q15842 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL810531 0.82 MAPT (0.56) PAX8ALDH1A1HTTTHRBLMNA
SCHEMBL2017427 0.82 PAX8 (0.52) PAX8ALDH1A1HTTTHRBLMNA
SCHEMBL810815 0.80 ALDH1A1 (0.42) PAX8ALDH1A1HTTTHRBLMNA
SCHEMBL2961835 0.79 MAPT (0.52) PAX8ALDH1A1HTTTHRBLMNA
SCHEMBL2962041 0.79 PDE7A (0.65) PAX8ALDH1A1HTTTHRBLMNA
SCHEMBL2954774 0.76 THRB (0.71) PAX8ALDH1A1HTTTHRBLMNA
SCHEMBL2960875 0.76 MAPT (0.70) ALDH1A1HTTTHRBLMNAMEN1
SCHEMBL6348399 0.73 PDE7A (0.60) PAX8ALDH1A1HTTLMNAMEN1
SCHEMBL6349992 0.73 PAX8 (0.53) PAX8ALDH1A1HTTLMNAMEN1
SCHEMBL3902453 0.73 KMT2A (0.73) PAX8ALDH1A1HTTLMNAMEN1

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 PAX8 3837/4885ALDH1A1 2723/4885HTT 472/4885
US-20070232645-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 PAX8 3837/4885ALDH1A1 2723/4885HTT 472/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 PAX8 3837/4885ALDH1A1 2723/4885HTT 472/4885

“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.