SCHEMBL1455063

SCHEMBL1455063

O=C(Nc1ccc(Sc2ccc(C(=O)Nc3ccc(Br)cc3)cc2[N+](=O)[O-])cc1)OCC(Cl)(Cl)Cl

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.54
SMN1; SMN2 Q16637 5/20 0.54
LMNA P02545 4/20 0.48
MEN1 O00255 8/20 0.47
KMT2A Q03164 8/20 0.47
ALDH1A1 P00352 5/20 0.47
GAA P10253 1/20 0.46
HTT P42858 2/20 0.46
AURKB Q96GD4 1/20 0.41
POLB P06746 2/20 0.40
XBP1 P17861 1/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HPGD P15428 1/20 0.39
BCL2L1 Q07817 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
SCHEMBL1454699 0.90 MAPT (0.59) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL1454123 0.90 MAPT (0.47) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL1454540 0.88 ALDH1A1 (0.46) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL1455127 0.88 MAPT (0.47) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL1455802 0.86 KCNQ3 (0.45) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL1456215 0.85 MEN1 (0.48) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL1454100 0.85 MAPT (0.47) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL1455558 0.85 MAPT (0.43) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL1455631 0.84 MAPT (0.56) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL1455791 0.84 MEN1 (0.42) MAPTSMN1; SMN2LMNAMEN1KMT2A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20110160233-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-30 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
US-20070232627-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 US 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-20110160233-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 MAPT 1347/4885SMN1; SMN2 3135/4885LMNA 3252/4885
US-20070232627-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 MAPT 1347/4885SMN1; SMN2 3135/4885LMNA 3252/4885

“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.