SCHEMBL809916

SCHEMBL809916

CC(Oc1ccc(Sc2ccc(O)cc2)c([N+](=O)[O-])c1)c1ccc(Br)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
HTT P42858 2/20 0.44
LMNA P02545 3/20 0.41
PDE7A Q13946 4/20 0.40
ALOX12 P18054 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GAA P10253 1/20 0.38
PDE7B Q9NP56 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
PLA2G4A P47712 1/20 0.38
POLB P06746 1/20 0.36
BCL2L1 Q07817 1/20 0.36

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
SCHEMBL810228 0.89 HTT (0.44) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL810343 0.79 MAPT (0.50) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL811556 0.78 PDE7A (0.53) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL2961961 0.77 MAPT (0.51) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL4386633 0.77 MAPT (0.46) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL810571 0.76 MAPT (0.46) MAPTALDH1A1MEN1KMT2AHTT
SCHEMBL1454766 0.73 PDE7A (0.55) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL811427 0.73 HTT (0.48) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL1455459 0.72 MAPT (0.60) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL1455780 0.72 MAPT (0.55) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A

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 10 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-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
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-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 (2 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 MAPT 1347/4885SMN1; SMN2 3135/4885ALDH1A1 2723/4885
US-20070197558-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 MAPT 1347/4885SMN1; SMN2 3135/4885ALDH1A1 2723/4885

“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.