SCHEMBL2963606

SCHEMBL2963606

Cc1cccc(Sc2ccc(C)cc2[N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.55
ALDH1A1 P00352 3/20 0.55
PDE7A Q13946 2/20 0.55
PDE7B Q9NP56 1/20 0.54
SLC6A2 P23975 1/20 0.53
SLC6A4 P31645 1/20 0.53
SLC6A3 Q01959 1/20 0.53
TSHR P16473 2/20 0.51
CYP3A4 P08684 1/20 0.51
LMNA P02545 4/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
NPSR1 Q6W5P4 2/20 0.51
HTT P42858 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ALOX12 P18054 1/20 0.51
TDP1 Q9NUW8 2/20 0.49
HPGD P15428 1/20 0.49
GFER P55789 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.48

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
SCHEMBL810289 0.89 PDE7A (0.68) MAPTALDH1A1PDE7APDE7BSLC6A2
SCHEMBL810413 0.88 MAPT (0.53) MAPTALDH1A1PDE7APDE7BSLC6A2
SCHEMBL2960443 0.88 PDE7A (0.71) MAPTALDH1A1PDE7APDE7BSLC6A2
SCHEMBL2414180 0.88 PDE7A (0.51) MAPTALDH1A1PDE7APDE7BSLC6A2
SCHEMBL2959825 0.85 MAPT (0.71) MAPTALDH1A1PDE7APDE7BSLC6A2
SCHEMBL2962044 0.85 GSTP1 (0.61) MAPTALDH1A1PDE7APDE7BSLC6A2
SCHEMBL27733755 0.84 MAPT (0.53) MAPTALDH1A1PDE7APDE7BSLC6A2
SCHEMBL2963623 0.82 MAPT (0.54) MAPTALDH1A1PDE7ASLC6A2SLC6A4
SCHEMBL2961437 0.82 SLC6A2 (0.64) MAPTALDH1A1PDE7APDE7BSLC6A2
SCHEMBL2962796 0.82 ALDH1A1 (0.72) MAPTALDH1A1PDE7APDE7BSLC6A2

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 7 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
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 1347/4885ALDH1A1 2723/4885PDE7A 4223/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 MAPT 1347/4885ALDH1A1 2723/4885PDE7A 4223/4885

“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.