SCHEMBL1455692

SCHEMBL1455692

O=C(Nc1ccc(Sc2ccc(C(=O)Cl)cc2[N+](=O)[O-])cc1)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.46
MAPT P10636 6/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
HTT P42858 2/20 0.44
GAA P10253 1/20 0.43
BCL2L1 Q07817 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 1/20 0.42
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.39
PDE7A Q13946 2/20 0.38
PDE7B Q9NP56 1/20 0.38

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
SCHEMBL1453962 0.92 MAPT (0.47) EPHX2MAPTKMT2AMEN1HTT
SCHEMBL1455659 0.84 BCL2L1 (0.43) EPHX2MAPTKMT2AMEN1HTT
SCHEMBL1455456 0.83 MAPT (0.42) EPHX2MAPTKMT2AMEN1HTT
SCHEMBL1454195 0.83 HTT (0.43) EPHX2MAPTKMT2AMEN1HTT
SCHEMBL1455529 0.83 MAPT (0.42) EPHX2MAPTKMT2AMEN1HTT
SCHEMBL1454235 0.83 HTT (0.43) EPHX2MAPTKMT2AMEN1HTT
SCHEMBL1455586 0.81 EPHX2 (0.42) EPHX2MAPTKMT2AMEN1HTT
SCHEMBL1455322 0.81 MAPT (0.40) EPHX2MAPTKMT2AMEN1HTT
SCHEMBL1455717 0.81 MAPT (0.43) EPHX2MAPTKMT2AMEN1HTT
SCHEMBL1454540 0.81 ALDH1A1 (0.46) MAPTKMT2AMEN1HTTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102702193-A Anti-viral compounds ABBOTT LAB 2012-10-03 CN disclosed
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
US-20070232627-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 US 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 EPHX2 3223/4885MAPT 1347/4885KMT2A 3566/4885
US-20070232627-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 EPHX2 3223/4885MAPT 1347/4885KMT2A 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.