SCHEMBL2962044

SCHEMBL2962044

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.61
GSTM2 P28161 1/20 0.61
MAPT P10636 6/20 0.57
ALDH1A1 P00352 5/20 0.53
LMNA P02545 2/20 0.53
GAA P10253 1/20 0.52
SLC6A2 P23975 1/20 0.52
SLC6A4 P31645 1/20 0.52
SLC6A3 Q01959 1/20 0.52
HTT P42858 3/20 0.51
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
PDE7A Q13946 3/20 0.49
PDE7B Q9NP56 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
POLB P06746 1/20 0.48
NPSR1 Q6W5P4 2/20 0.47
ALOX12 P18054 1/20 0.47
APEX1 P27695 1/20 0.47
TSHR P16473 2/20 0.47

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
SCHEMBL27733755 0.89 MAPT (0.53) GSTP1GSTM2MAPTALDH1A1LMNA
SCHEMBL2961437 0.86 SLC6A2 (0.64) GSTP1GSTM2MAPTALDH1A1LMNA
SCHEMBL2962796 0.86 ALDH1A1 (0.72) GSTP1GSTM2MAPTALDH1A1LMNA
SCHEMBL2018194 0.85 ALDH1A1 (0.67) GSTP1GSTM2MAPTALDH1A1LMNA
SCHEMBL2963606 0.85 MAPT (0.55) MAPTALDH1A1LMNAGAASLC6A2
SCHEMBL810289 0.83 PDE7A (0.68) GSTP1GSTM2MAPTALDH1A1LMNA
SCHEMBL18779432 0.83 ALDH1A1 (0.74) GSTP1GSTM2MAPTALDH1A1LMNA
SCHEMBL810413 0.83 MAPT (0.53) MAPTALDH1A1LMNAGAASLC6A2
SCHEMBL10650251 0.81 MAPT (0.79) GSTP1GSTM2MAPTALDH1A1LMNA
SCHEMBL6936141 0.81 MAPT (0.62) GSTP1GSTM2MAPTALDH1A1LMNA

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 GSTP1 1373/4885GSTM2 2643/4885MAPT 1347/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 GSTP1 1373/4885GSTM2 2643/4885MAPT 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.