SCHEMBL2962796

SCHEMBL2962796

Cc1ccc(Sc2cccc(C(=O)N(C)C)c2)c([N+](=O)[O-])c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.72
LMNA P02545 2/20 0.72
MAPT P10636 6/20 0.51
SLC6A4 P31645 2/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
GSTP1 P09211 2/20 0.47
GSTM2 P28161 2/20 0.47
GAA P10253 1/20 0.46
HTT P42858 3/20 0.46
NPSR1 Q6W5P4 2/20 0.45
ALOX12 P18054 1/20 0.45
PDE7A Q13946 3/20 0.44
ERN1 O75460 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
PDE7B Q9NP56 1/20 0.43
HPGD P15428 1/20 0.41
POLB P06746 1/20 0.41

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) ALDH1A1LMNAMAPTSLC6A4SLC6A2
SCHEMBL27733755 0.85 MAPT (0.53) ALDH1A1LMNAMAPTSLC6A4SLC6A2
SCHEMBL2961437 0.83 SLC6A2 (0.64) ALDH1A1LMNAMAPTSLC6A4SLC6A2
SCHEMBL2963606 0.82 MAPT (0.55) ALDH1A1LMNAMAPTSLC6A4SLC6A2
SCHEMBL2968903 0.80 ALDH1A1 (0.48) ALDH1A1LMNAMAPTSLC6A4SLC6A2
SCHEMBL810413 0.80 MAPT (0.53) ALDH1A1LMNAMAPTSLC6A4SLC6A2
SCHEMBL1643390 0.78 SLC6A4 (0.70) ALDH1A1LMNAMAPTSLC6A4SLC6A2
SCHEMBL810289 0.78 PDE7A (0.68) ALDH1A1LMNAMAPTSLC6A4SLC6A2
SCHEMBL2960443 0.77 PDE7A (0.71) ALDH1A1LMNAMAPTSLC6A4SLC6A2
SCHEMBL2963623 0.76 MAPT (0.54) ALDH1A1LMNAMAPTSLC6A4SLC6A2

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 5 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
US-20070232645-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 US 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 ALDH1A1 2723/4885LMNA 3252/4885MAPT 1347/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 ALDH1A1 2723/4885LMNA 3252/4885MAPT 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.