SCHEMBL810880

SCHEMBL810880

Nc1cc(F)ccc1Sc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.53
SLC6A4 P31645 6/20 0.53
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 3/20 0.48
MAPT P10636 2/20 0.48
HPGD P15428 2/20 0.48
PDE7A Q13946 2/20 0.47
SLC6A3 Q01959 1/20 0.40
GLA P06280 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
AGBL2 Q5U5Z8 1/20 0.39
HDAC1 Q13547 1/20 0.39
ADORA2A P29274 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
SIRT1 Q96EB6 1/20 0.38

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
SCHEMBL1568661 0.85 ALDH1A1 (0.43) SLC6A2SLC6A4ALDH1A1KDM4EMAPT
SCHEMBL9631752 0.80 ALDH1A1 (0.61) SLC6A2SLC6A4ALDH1A1KDM4EMAPT
SCHEMBL29217096 0.80 ALDH1A1 (0.47) SLC6A4ALDH1A1KDM4EMAPTHPGD
SCHEMBL777382 0.80 MAPK14 (0.42) ALDH1A1KDM4EMAPTHPGDPDE7A
SCHEMBL29722938 0.80 MAPK14 (0.42) ALDH1A1KDM4EMAPTHPGDPDE7A
SCHEMBL3785288 0.78 ALDH1A1 (0.50) ALDH1A1KDM4EMAPTHPGDPDE7A
SCHEMBL3521485 0.77 PDE7A (0.54) SLC6A2SLC6A4ALDH1A1KDM4EMAPT
SCHEMBL810478 0.77 ALDH1A1 (0.45) SLC6A2SLC6A4ALDH1A1KDM4EMAPT
SCHEMBL3790365 0.77 KDM4E (0.55) SLC6A2SLC6A4ALDH1A1KDM4EMAPT
SCHEMBL3543388 0.77 ALDH1A1 (0.40) ALDH1A1KDM4EMAPTHPGDPDE7A

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 20 patents. 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
WO-2013130958-A1 BENZOFURAN-2-SULFONAMIDES DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2013-09-06 WO disclosed
US-20130231338-A1 BENZOFURAN-2-SULFONAMIDES DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2013-09-05 US disclosed
US-20130231338-A1 BENZOFURAN-2-SULFONAMIDES DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2013-09-05 US disclosed
US-20130231338-A1 BENZOFURAN-2-SULFONAMIDES DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2013-09-05 US disclosed
EP-1971611-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2012-10-10 EP disclosed
EP-2345652-A1 Antiviral compounds Abbott Laboratories (US) 2011-07-20 EP disclosed
US-7915411-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2011-03-29 US disclosed
EP-1971611-A1 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-09-24 EP 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 SLC6A2 4033/4885SLC6A4 4037/4885ALDH1A1 2723/4885
US-20150218119-A1 BENZOFURAN-2-SULFONAMIDES DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CXCR2, CCR2, CCR5 SLC6A2 2533/4885SLC6A4 1406/4885ALDH1A1 1991/4885
US-20130231338-A1 BENZOFURAN-2-SULFONAMIDES DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CXCR2, CCR2, CCR5 SLC6A2 2533/4885SLC6A4 1406/4885ALDH1A1 1991/4885

“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.