SCHEMBL810698

SCHEMBL810698

O=C(O)Nc1ccc(Sc2ccc(OCc3cnc(Cl)s3)cc2[N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.51
MAPT P10636 7/20 0.48
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
LMNA P02545 3/20 0.45
KDM4E B2RXH2 1/20 0.45
PKM P14618 1/20 0.45
PLA2G4A P47712 1/20 0.43
USP7 Q93009 3/20 0.40
USP47 Q96K76 3/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PDE7A Q13946 1/20 0.39
PDE7B Q9NP56 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 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
SCHEMBL810699 1.00 L3MBTL1 (0.51) L3MBTL1MAPTMEN1KMT2ALMNA
SCHEMBL811265 0.88 L3MBTL1 (0.48) L3MBTL1MAPTMEN1KMT2ALMNA
SCHEMBL810563 0.85 PDE7A (0.55) L3MBTL1MAPTMEN1KMT2ALMNA
SCHEMBL811108 0.74 MAPT (0.67) L3MBTL1MAPTMEN1KMT2ALMNA
SCHEMBL810430 0.73 L3MBTL1 (0.52) L3MBTL1MAPTMEN1KMT2ALMNA
SCHEMBL810604 0.71 MAPT (0.50) L3MBTL1MAPTMEN1KMT2ALMNA
SCHEMBL4985967 0.67 ALDH1A1 (0.52) MAPTMEN1KMT2ALMNATDP1
SCHEMBL4976616 0.67 MEN1 (0.53) MAPTMEN1KMT2ALMNAPLA2G4A
SCHEMBL5069003 0.66 MAPT (0.45) L3MBTL1MAPTMEN1KMT2APKM
SCHEMBL810198 0.66 PDE7A (0.55) L3MBTL1MAPTMEN1KMT2ATDP1

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 6 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-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
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 (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-20070197558-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 L3MBTL1 2884/4885MAPT 1347/4885MEN1 4571/4885

“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.