SCHEMBL2961437

SCHEMBL2961437

CNC(=O)c1cccc(Sc2ccc(C)cc2[N+](=O)[O-])c1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.64
SLC6A4 P31645 2/20 0.64
SLC6A3 Q01959 2/20 0.64
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
ALDH1A1 P00352 3/20 0.56
MAPT P10636 8/20 0.55
GAA P10253 1/20 0.55
HTT P42858 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.51
LMNA P02545 2/20 0.50
GSTP1 P09211 1/20 0.47
GSTM2 P28161 1/20 0.47
POLB P06746 2/20 0.46
ALOX12 P18054 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
PDE7A Q13946 3/20 0.44
PDE7B Q9NP56 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL2962044 0.86 GSTP1 (0.61) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL27733755 0.85 MAPT (0.53) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL2962796 0.83 ALDH1A1 (0.72) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL2963606 0.82 MAPT (0.55) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL3045395 0.80 MAPT (0.49) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL810413 0.80 MAPT (0.53) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL2963623 0.79 MAPT (0.54) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL1645802 0.78 SLC6A4 (1.00) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL810289 0.78 PDE7A (0.68) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL2960443 0.77 PDE7A (0.71) SLC6A2SLC6A4SLC6A3MEN1KMT2A

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 SLC6A2 4033/4885SLC6A4 4037/4885SLC6A3 3970/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 SLC6A2 4033/4885SLC6A4 4037/4885SLC6A3 3970/4885

“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.