SCHEMBL2960443

SCHEMBL2960443

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

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDE7A Q13946 5/20 0.71
▸ MAPT P10636 7/20 0.50
▸ ALDH1A1 P00352 3/20 0.50
▸ PDE7B Q9NP56 2/20 0.50
▸ TSHR P16473 2/20 0.50
▸ SLC6A2 P23975 1/20 0.49
▸ SLC6A4 P31645 1/20 0.49
▸ SLC6A3 Q01959 1/20 0.49
▸ LMNA P02545 3/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.47
▸ ALOX12 P18054 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ CYP3A4 P08684 1/20 0.46
▸ TDP1 Q9NUW8 2/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ GAA P10253 1/20 0.43

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
SCHEMBL2963606 0.88 MAPT (0.55) PDE7AMAPTALDH1A1PDE7BTSHR
SCHEMBL810289 0.84 PDE7A (0.68) PDE7AMAPTALDH1A1PDE7BTSHR
SCHEMBL810413 0.83 MAPT (0.53) PDE7AMAPTALDH1A1PDE7BTSHR
SCHEMBL27733755 0.82 MAPT (0.53) PDE7AMAPTALDH1A1PDE7BTSHR
SCHEMBL2959825 0.81 MAPT (0.71) PDE7AMAPTALDH1A1PDE7BTSHR
SCHEMBL2962044 0.80 GSTP1 (0.61) PDE7AMAPTALDH1A1PDE7BTSHR
SCHEMBL2968510 0.78 PDE7A (0.68) PDE7AMAPTALDH1A1PDE7BMEN1
SCHEMBL20854812 0.77 PDE7A (0.44) PDE7AMAPTALDH1A1SLC6A2SLC6A4
SCHEMBL2964985 0.77 PDE7A (0.70) PDE7AMAPTALDH1A1PDE7BTSHR
SCHEMBL2963623 0.77 MAPT (0.54) PDE7AMAPTALDH1A1SLC6A2SLC6A4

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

“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.

Send feedback