SCHEMBL810774

SCHEMBL810774

COC(=O)c1ccc(Sc2ccc(O)cc2)c([N+](=O)[O-])c1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.59
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
MAPT P10636 8/20 0.57
HPGD P15428 5/20 0.57
HTT P42858 1/20 0.57
LMNA P02545 4/20 0.56
PDE7A Q13946 1/20 0.55
GAA P10253 1/20 0.55
VCAM1 P19320 1/20 0.52
KDM4E B2RXH2 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
ALOX15 P16050 1/20 0.51
MAPK1 P28482 1/20 0.51
HSD17B10 Q99714 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
POLB P06746 1/20 0.51
NPSR1 Q6W5P4 1/20 0.50

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
SCHEMBL1455665 0.89 PDE7A (0.59) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL1454112 0.89 HPGD (0.59) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL6936618 0.86 MAPT (0.57) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL1455940 0.85 ALDH1A1 (0.55) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL18779462 0.84 MAPT (0.63) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL15227779 0.84 PDE7A (0.62) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL27872955 0.83 VCAM1 (0.55) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL4391819 0.83 BCL2L1 (0.59) ALDH1A1MEN1KMT2AMAPTHTT
SCHEMBL5917877 0.82 HPGD (0.66) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL1454878 0.81 MAPT (0.56) ALDH1A1MEN1KMT2AMAPTHPGD

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
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-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-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
US-7910595-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2011-03-22 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-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 (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-20110160233-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 ALDH1A1 2723/4885MEN1 4571/4885KMT2A 3566/4885
US-20070197558-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 ALDH1A1 2723/4885MEN1 4571/4885KMT2A 3566/4885
US-20070232627-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 ALDH1A1 2723/4885MEN1 4571/4885KMT2A 3566/4885

“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.