SCHEMBL810228

SCHEMBL810228

CC(Oc1ccc(Sc2ccc(O)cc2)c([N+](=O)[O-])c1)c1cccc(Br)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.44
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
ALDH1A1 P00352 4/20 0.44
MAPT P10636 9/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 3/20 0.41
GAA P10253 1/20 0.39
PDE7A Q13946 4/20 0.38
PDE7B Q9NP56 2/20 0.37
NPSR1 Q6W5P4 3/20 0.37
HPGD P15428 2/20 0.37
GFER P55789 1/20 0.37
ALOX12 P18054 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
BCL2L1 Q07817 2/20 0.36
POLB P06746 1/20 0.36
PLA2G4A P47712 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
SCHEMBL809916 0.89 MAPT (0.46) HTTMEN1KMT2AALDH1A1MAPT
SCHEMBL811477 0.82 MAPT (0.36) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL811556 0.78 PDE7A (0.53) HTTMEN1KMT2AALDH1A1MAPT
SCHEMBL811476 0.77 MAPT (0.43) HTTMEN1KMT2AALDH1A1MAPT
SCHEMBL810343 0.76 MAPT (0.50) HTTMEN1KMT2AALDH1A1MAPT
SCHEMBL5064335 0.76 MAPT (0.41) HTTMEN1KMT2AALDH1A1MAPT
SCHEMBL811151 0.74 MAPT (0.48) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL811427 0.72 HTT (0.48) HTTMEN1KMT2AALDH1A1MAPT
SCHEMBL1454766 0.71 PDE7A (0.55) HTTMEN1KMT2AALDH1A1MAPT
SCHEMBL20526922 0.71 FFAR1 (0.44) ALDH1A1MAPTSMN1; SMN2LMNAGAA

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 11 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-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-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-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 (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-20070197558-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 HTT 472/4885MEN1 4571/4885KMT2A 3566/4885
US-20070232627-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 HTT 472/4885MEN1 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.