SCHEMBL1455717

SCHEMBL1455717

CC(C)(C)c1cnc(NC(=O)c2ccc(Sc3ccc(NC(=O)OCC4c5ccccc5-c5ccccc54)cc3)c([N+](=O)[O-])c2)s1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.43
GAA P10253 1/20 0.43
HTT P42858 2/20 0.41
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 4/20 0.39
EPHX2 P34913 1/20 0.37
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
AURKB Q96GD4 1/20 0.35
PDE7A Q13946 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL1455074 0.89 EPHX2 (0.39) MAPTKMT2AALDH1A1EPHX2L3MBTL1
SCHEMBL1455322 0.84 MAPT (0.40) MAPTGAAHTTMEN1KMT2A
SCHEMBL1454195 0.84 HTT (0.43) MAPTGAAHTTMEN1KMT2A
SCHEMBL1455659 0.82 BCL2L1 (0.43) MAPTGAAHTTMEN1KMT2A
SCHEMBL1454235 0.82 HTT (0.43) MAPTGAAHTTMEN1KMT2A
SCHEMBL1453962 0.81 MAPT (0.47) MAPTGAAHTTMEN1KMT2A
SCHEMBL1455456 0.81 MAPT (0.42) MAPTGAAHTTMEN1KMT2A
SCHEMBL1455529 0.81 MAPT (0.42) MAPTGAAHTTMEN1KMT2A
SCHEMBL1455692 0.81 EPHX2 (0.46) MAPTGAAHTTMEN1KMT2A
SCHEMBL1456169 0.79 MAPT (0.51) MAPTGAAHTTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1979348-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2012-01-18 EP 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
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 (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-20070232627-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 MAPT 1347/4885GAA 504/4885HTT 472/4885

“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.