SCHEMBL811364

SCHEMBL811364

O=[N+]([O-])c1cc(NCc2ccc(Br)cc2)ccc1Sc1ccc(O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGER Q15109 1/20 0.52
MAPT P10636 9/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
ALDH1A1 P00352 4/20 0.47
EGFR P00533 1/20 0.46
KDM4C Q9H3R0 1/20 0.44
LMNA P02545 2/20 0.42
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
NPSR1 Q6W5P4 3/20 0.40
HTT P42858 2/20 0.40
ALOX12 P18054 1/20 0.40
MAPK1 P28482 2/20 0.40
GAA P10253 1/20 0.39
PDE7A Q13946 2/20 0.39
PDE7B Q9NP56 1/20 0.39
HPGD P15428 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL810769 0.89 MAPT (0.48) MAPTSMN1; SMN2ALDH1A1EGFRLMNA
SCHEMBL810343 0.80 MAPT (0.50) MAPTSMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL811300 0.80 AGER (0.58) AGERMAPTALDH1A1EGFRKDM4C
SCHEMBL1455780 0.80 MAPT (0.55) MAPTSMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL2961961 0.79 MAPT (0.51) MAPTSMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL1455459 0.78 MAPT (0.60) MAPTSMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL4386633 0.76 MAPT (0.46) MAPTSMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL1454766 0.75 PDE7A (0.55) MAPTSMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL810541 0.75 MAPT (0.48) MAPTSMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL3298986 0.72 BCL2L1 (0.52) MAPTSMN1; SMN2ALDH1A1KDM4CL3MBTL1

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 7 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
CN-101443334-A Anti-viral compounds ABBOTT LAB (US) 2009-05-27 CN 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 AGER 4548/4885MAPT 1347/4885SMN1; SMN2 3135/4885

“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.