SCHEMBL810593

SCHEMBL810593

COc1ccc(Oc2ccc(N)cc2[N+](=O)[O-])cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.67
KMT2A Q03164 4/20 0.67
MAPT P10636 3/20 0.67
MEN1 O00255 3/20 0.67
PDE7A Q13946 2/20 0.65
HSPB1 P04792 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
MAPK1 P28482 3/20 0.51
NPSR1 Q6W5P4 2/20 0.51
HTT P42858 1/20 0.51
CYP3A4 P08684 2/20 0.50
PAX8 Q06710 1/20 0.50
TSHR P16473 1/20 0.50
RECQL P46063 1/20 0.50
ALOX15 P16050 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
HPGD P15428 3/20 0.48
HSD17B10 Q99714 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PTPN1 P18031 1/20 0.46

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
SCHEMBL7042460 0.85 PDE7A (0.83) ALDH1A1KMT2AMAPTMEN1PDE7A
SCHEMBL1177976 0.84 ALDH1A1 (0.66) ALDH1A1KMT2AMAPTMEN1PDE7A
SCHEMBL29552735 0.84 ALDH1A1 (0.66) ALDH1A1KMT2AMAPTMEN1PDE7A
SCHEMBL2211964 0.84 ALDH1A1 (0.59) ALDH1A1KMT2AMAPTMEN1PDE7A
SCHEMBL29453576 0.84 ALDH1A1 (0.59) ALDH1A1KMT2AMAPTMEN1PDE7A
SCHEMBL11295773 0.84 ALDH1A1 (0.63) ALDH1A1KMT2AMAPTMEN1PDE7A
SCHEMBL810817 0.83 ALDH1A1 (0.65) ALDH1A1KMT2AMAPTMEN1PDE7A
SCHEMBL5315876 0.83 MAPT (0.73) ALDH1A1KMT2AMAPTMEN1PDE7A
Hydrochloric Acid SCHEMBL15486437 0.82 ALDH1A1 (0.58) ALDH1A1KMT2AMAPTMEN1PDE7A
SCHEMBL30549816 0.82 ALDH1A1 (0.51) ALDH1A1KMT2AMAPTMEN1PDE7A

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 6 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-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
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 (1 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 2723/4885KMT2A 3566/4885MAPT 1347/4885

“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.