SCHEMBL810198

SCHEMBL810198

Nc1ccc(Sc2ccc(OCc3ccccc3)cc2[N+](=O)[O-])cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 7/20 0.55
PDE7B Q9NP56 2/20 0.55
MAPT P10636 5/20 0.50
RAB9A P51151 2/20 0.50
MAOB P27338 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
GAA P10253 1/20 0.50
MAOA P21397 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
NPC1 O15118 1/20 0.45
ATM Q13315 1/20 0.45
ALDH1A1 P00352 2/20 0.44
GSTP1 P09211 1/20 0.43
GSTM2 P28161 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HTT P42858 2/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL5067776 0.89 PDE7A (0.53) PDE7APDE7BMAPTRAB9ASMN1; SMN2
SCHEMBL27743924 0.82 MAPT (0.44) PDE7APDE7BMAPTSMN1; SMN2GAA
SCHEMBL17498300 0.81 MAOB (0.49) PDE7AMAPTRAB9AMAOBSMN1; SMN2
SCHEMBL27743926 0.80 MAPT (0.53) PDE7APDE7BMAPTSMN1; SMN2GAA
SCHEMBL8837229 0.80 MEN1 (0.53) MAPTRAB9AMAOBMAOAL3MBTL1
SCHEMBL810374 0.80 BACE1 (0.55) MAPTRAB9AMAOBMEN1KMT2A
SCHEMBL811448 0.80 PDE7A (0.43) PDE7APDE7BMAPTRAB9ASMN1; SMN2
SCHEMBL7250749 0.80 PTGES (0.57) MAPTRAB9AMAOBSMN1; SMN2GAA
SCHEMBL810480 0.79 CTSV (0.49) PDE7AMAPTRAB9AMAOBMAOA
SCHEMBL810368 0.79 RAB9A (0.53) MAPTRAB9AMAOBSMN1; SMN2GAA

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 7 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
CN-101443334-A Anti-viral compounds ABBOTT LAB (US) 2009-05-27 CN 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.