SCHEMBL2963623

SCHEMBL2963623

CC(=O)Nc1cccc(Sc2ccc(C)cc2[N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.54
SLC6A2 P23975 1/20 0.52
SLC6A4 P31645 1/20 0.52
SLC6A3 Q01959 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
HSD17B10 Q99714 1/20 0.50
ALDH1A1 P00352 5/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
POLB P06746 1/20 0.49
HPGD P15428 1/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
HTT P42858 3/20 0.47
LMNA P02545 2/20 0.47
ALOX12 P18054 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
GAA P10253 1/20 0.46
PDE7A Q13946 2/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL810531 0.86 MAPT (0.56) MAPTSLC6A2SLC6A4SLC6A3SMN1; SMN2
SCHEMBL2960875 0.83 MAPT (0.70) MAPTSMN1; SMN2ALDH1A1L3MBTL1POLB
SCHEMBL2963606 0.82 MAPT (0.55) MAPTSLC6A2SLC6A4SLC6A3SMN1; SMN2
SCHEMBL2969105 0.81 SLC6A2 (0.52) MAPTSLC6A2SLC6A4SLC6A3SMN1; SMN2
SCHEMBL2961977 0.80 HSD17B10 (0.55) MAPTSLC6A2SLC6A4SLC6A3SMN1; SMN2
SCHEMBL810413 0.80 MAPT (0.53) MAPTSLC6A2SLC6A4SLC6A3SMN1; SMN2
SCHEMBL2962044 0.79 GSTP1 (0.61) MAPTSLC6A2SLC6A4SLC6A3SMN1; SMN2
SCHEMBL2961437 0.79 SLC6A2 (0.64) MAPTSLC6A2SLC6A4SLC6A3SMN1; SMN2
SCHEMBL2954763 0.79 SLC6A2 (0.49) MAPTSLC6A2SLC6A4SLC6A3SMN1; SMN2
SCHEMBL27733755 0.78 MAPT (0.53) MAPTSLC6A2SLC6A4SLC6A3SMN1; SMN2

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 9 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
CN-102702194-A Anti-viral compounds ABBOTT LAB 2012-10-03 CN 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 MAPT 1347/4885SLC6A2 4033/4885SLC6A4 4037/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 MAPT 1347/4885SLC6A2 4033/4885SLC6A4 4037/4885

“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.