SCHEMBL810563

SCHEMBL810563

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 8/20 0.55
PDE7B Q9NP56 3/20 0.55
MAPT P10636 2/20 0.54
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
LMNA P02545 2/20 0.49
KDM4E B2RXH2 1/20 0.49
PKM P14618 1/20 0.49
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
PDE4B Q07343 1/20 0.41
PDE4D Q08499 1/20 0.41
L3MBTL1 Q9Y468 4/20 0.40
TDP1 Q9NUW8 2/20 0.40
POLB P06746 2/20 0.40
RAB9A P51151 1/20 0.40
ATM Q13315 1/20 0.40
PLA2G4A P47712 1/20 0.39
GAA P10253 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
SCHEMBL810698 0.85 L3MBTL1 (0.51) PDE7APDE7BMAPTMEN1KMT2A
SCHEMBL810699 0.85 L3MBTL1 (0.51) PDE7APDE7BMAPTMEN1KMT2A
SCHEMBL811265 0.81 L3MBTL1 (0.48) MAPTMEN1KMT2ALMNAKDM4E
SCHEMBL811108 0.79 MAPT (0.67) MAPTMEN1KMT2ALMNAKDM4E
SCHEMBL810198 0.78 PDE7A (0.55) PDE7APDE7BMAPTMEN1KMT2A
SCHEMBL5067776 0.72 PDE7A (0.53) PDE7APDE7BMAPTMEN1KMT2A
SCHEMBL811285 0.69 PDE7A (0.60) PDE7APDE7BMAPTMEN1KMT2A
SCHEMBL13273741 0.68 PDE7A (0.71) PDE7APDE7BMAPTMEN1KMT2A
SCHEMBL810430 0.68 L3MBTL1 (0.52) MAPTMEN1KMT2ALMNAKDM4E
SCHEMBL810727 0.67 PDE7A (0.49) PDE7APDE7BMAPTMEN1KMT2A

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 PDE7A 4223/4885PDE7B 4176/4885MAPT 1347/4885

“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.