SCHEMBL810289

SCHEMBL810289

Cc1ccc(Sc2ccccc2)c([N+](=O)[O-])c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 2/20 0.68
PDE7B Q9NP56 1/20 0.68
MAPT P10636 8/20 0.65
ALDH1A1 P00352 4/20 0.59
MEN1 O00255 6/20 0.58
KMT2A Q03164 6/20 0.58
HTT P42858 3/20 0.58
NPSR1 Q6W5P4 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
HPGD P15428 1/20 0.58
TDP1 Q9NUW8 2/20 0.58
GAA P10253 1/20 0.58
SLC6A2 P23975 1/20 0.58
SLC6A4 P31645 1/20 0.58
SLC6A3 Q01959 1/20 0.58
LMNA P02545 2/20 0.56
ALOX12 P18054 1/20 0.56
CYP3A4 P08684 1/20 0.53
TSHR P16473 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.52

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
SCHEMBL2959825 0.90 MAPT (0.71) PDE7APDE7BMAPTALDH1A1MEN1
SCHEMBL2963606 0.89 MAPT (0.55) PDE7APDE7BMAPTALDH1A1MEN1
SCHEMBL810705 0.84 PDE7A (0.65) PDE7APDE7BMAPTALDH1A1MEN1
SCHEMBL810183 0.84 MAPT (0.64) PDE7APDE7BMAPTALDH1A1MEN1
SCHEMBL810413 0.84 MAPT (0.53) PDE7APDE7BMAPTALDH1A1MEN1
SCHEMBL2018194 0.84 ALDH1A1 (0.67) PDE7AMAPTALDH1A1MEN1KMT2A
SCHEMBL2960443 0.84 PDE7A (0.71) PDE7APDE7BMAPTALDH1A1MEN1
SCHEMBL2962044 0.83 GSTP1 (0.61) PDE7APDE7BMAPTALDH1A1MEN1
SCHEMBL19048971 0.83 PDE7A (0.71) PDE7APDE7BMAPTALDH1A1MEN1
SCHEMBL25250134 0.83 PDE7A (0.66) PDE7APDE7BMAPTALDH1A1MEN1

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9550746-B2 Benzofuran-2-sulfonamides derivatives as chemokine receptor modulators ALLERGAN, INC. (US) 2017-01-24 US disclosed
US-9550746-B2 Benzofuran-2-sulfonamides derivatives as chemokine receptor modulators ALLERGAN, INC. (US) 2017-01-24 US disclosed
US-9550746-B2 Benzofuran-2-sulfonamides derivatives as chemokine receptor modulators ALLERGAN, INC. (US) 2017-01-24 US disclosed
US-20150218119-A1 BENZOFURAN-2-SULFONAMIDES DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. 2015-08-06 US disclosed
US-20150218119-A1 BENZOFURAN-2-SULFONAMIDES DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. 2015-08-06 US disclosed
US-20150218119-A1 BENZOFURAN-2-SULFONAMIDES DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. 2015-08-06 US disclosed
US-8927544-B2 Benzofuran-2-sulfonamides derivatives as chemokine receptor modulators ALLERGAN, INC. (US) 2015-01-06 US disclosed
US-8927544-B2 Benzofuran-2-sulfonamides derivatives as chemokine receptor modulators ALLERGAN, INC. (US) 2015-01-06 US disclosed
US-8927544-B2 Benzofuran-2-sulfonamides derivatives as chemokine receptor modulators ALLERGAN, INC. (US) 2015-01-06 US disclosed
WO-2013130958-A1 BENZOFURAN-2-SULFONAMIDES DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2013-09-06 WO disclosed
US-7763731-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2010-07-27 US disclosed
EP-2094276-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2009-09-02 EP disclosed
CN-101443334-A Anti-viral compounds ABBOTT LAB (US) 2009-05-27 CN disclosed
CN-101384592-A Antiviral compounds ABBOTT LAB (US) 2009-03-11 CN disclosed
WO-2008133753-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2008-11-06 WO disclosed
EP-1971611-A1 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-09-24 EP disclosed
US-7323458-B1 Dihydrobenzodiazepins and their use for treating dyslipidemia MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2008-01-29 US disclosed
US-20070232645-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 US disclosed
US-20070197558-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-08-23 US disclosed
WO-2007081517-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-19 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 (3 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-20070197558-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 PDE7A 4223/4885PDE7B 4176/4885MAPT 1347/4885
US-20150218119-A1 BENZOFURAN-2-SULFONAMIDES DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CXCR2, CCR2, CCR5 PDE7A 1086/4885PDE7B 1250/4885MAPT 4609/4885
US-20070232645-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 PDE7A 4223/4885PDE7B 4176/4885MAPT 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.