SCHEMBL2962041

SCHEMBL2962041

CC(=O)Nc1ccc(Sc2cc(Cl)ccc2[N+](=O)[O-])cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 9/20 0.65
TRPV1 Q8NER1 1/20 0.53
PAX8 Q06710 1/20 0.51
PDE7B Q9NP56 4/20 0.49
ABCC9 O60706 1/20 0.48
ABCC8 Q09428 1/20 0.48
KCNJ11 Q14654 1/20 0.48
KCNJ8 Q15842 1/20 0.48
PLA2G4A P47712 1/20 0.47
USP7 Q93009 1/20 0.47
PADI4 Q9UM07 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 2/20 0.46
LMNA P02545 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4D Q08499 1/20 0.46
THRB P10828 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.45

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
SCHEMBL4963975 0.82 PDE7A (0.82) PDE7APDE7BPLA2G4AHTTKMT2A
SCHEMBL6348399 0.82 PDE7A (0.60) PDE7ATRPV1PAX8HTTKMT2A
SCHEMBL810256 0.79 PAX8 (0.50) PDE7APAX8ABCC9ABCC8KCNJ11
SCHEMBL2017427 0.79 PAX8 (0.52) PDE7APAX8PLA2G4AHTTKMT2A
SCHEMBL810531 0.79 MAPT (0.56) PDE7APAX8HTTKMT2ALMNA
SCHEMBL9537682 0.78 MAPT (0.60) PDE7APDE7BPLA2G4AUSP7PADI4
SCHEMBL14656523 0.78 ALDH3A1 (0.58) PDE7ATRPV1HTTKMT2ALMNA
SCHEMBL2961835 0.78 MAPT (0.52) PDE7APAX8PLA2G4AHTTKMT2A
SCHEMBL2954774 0.77 THRB (0.71) PDE7APAX8ABCC9ABCC8KCNJ11
SCHEMBL22815433 0.77 PDE7A (0.74) PDE7APDE7BPLA2G4AHTTKMT2A

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
US-8338605-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2012-12-25 US disclosed
US-20100256139-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2010-10-07 US disclosed
EP-1979349-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2010-07-28 EP disclosed
US-7763731-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2010-07-27 US disclosed
CN-101384592-A Antiviral compounds ABBOTT LAB (US) 2009-03-11 CN disclosed
EP-1979349-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-10-15 EP disclosed
US-20070232645-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 US disclosed
WO-2007076035-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 (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-20070232645-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 PDE7A 4223/4885TRPV1 3812/4885PAX8 3837/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 PDE7A 4223/4885TRPV1 3812/4885PAX8 3837/4885

“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.