SCHEMBL6743647

SCHEMBL6743647

O=[N+]([O-])c1cc(F)ccc1Sc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 6/20 0.73
PDE7B Q9NP56 3/20 0.68
MAPT P10636 6/20 0.61
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
HTT P42858 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
ALDH1A1 P00352 2/20 0.58
HPGD P15428 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
TDP1 Q9NUW8 2/20 0.54
GAA P10253 1/20 0.54
GSTP1 P09211 1/20 0.51
GSTM2 P28161 1/20 0.51
IDO1 P14902 1/20 0.49
PDE4B Q07343 1/20 0.49
PDE4D Q08499 1/20 0.49
TXNRD1 Q16881 1/20 0.49
TXNRD3 Q86VQ6 1/20 0.49
TXNRD2 Q9NNW7 1/20 0.49

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
SCHEMBL6741226 0.89 PDE7A (0.67) PDE7APDE7BMAPTMEN1KMT2A
SCHEMBL1567751 0.87 PDE7A (0.56) PDE7APDE7BMAPTMEN1KMT2A
SCHEMBL15307419 0.84 PDE7A (0.64) PDE7APDE7BMAPTMEN1KMT2A
SCHEMBL19048971 0.83 PDE7A (0.71) PDE7APDE7BMAPTMEN1KMT2A
SCHEMBL6039967 0.82 TXNRD1 (0.74) PDE7APDE7BMAPTMEN1KMT2A
SCHEMBL2968510 0.81 PDE7A (0.68) PDE7APDE7BMAPTMEN1KMT2A
SCHEMBL2968440 0.81 PDE7A (0.68) PDE7APDE7BMAPTMEN1KMT2A
SCHEMBL810289 0.81 PDE7A (0.68) PDE7APDE7BMAPTMEN1KMT2A
SCHEMBL8884363 0.81 PDE7A (1.00) PDE7APDE7BMAPTMEN1KMT2A
SCHEMBL29217093 0.81 PDE7A (0.68) PDE7APDE7BMAPTMEN1KMT2A

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 23 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-20130231338-A1 BENZOFURAN-2-SULFONAMIDES DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2013-09-05 US disclosed
US-20040014966-A1 Bis-arylsulfones JACOBSEN ERIC JON (US) 2004-01-22 US disclosed
US-20030225065-A1 Bis-arylsulfones JACOBSEN ERIC JON (US) 2003-12-04 US disclosed
US-20030207866-A1 Drugs useful for the treatment of diseases or disorders of the central nervous system. PHARMACIA & UPJOHN COMPANY 2003-11-06 US disclosed
US-6586592-B2 Labled isotopes of phenyl 4-(1,4-diazepin-1-yl)-2-amino phenyl sulfone derivatives used in nuclear magnetic resonance imaging and positron emission tomography PHARMACIA & UPJOHN COMPANY 2003-07-01 US disclosed
US-6579870-B2 5-(1,4-diazepan-1-yl)-2-((3 -fluorophenyl)sulfonyl)phenylamine for example; treatment of diseases or disorders of the central nervous system; modulation of serotonin (5-HT) activity PHARMACIA & UPJOHN COMPANY 2003-06-17 US disclosed
EP-1294701-A2 BIS-ARYLSULFONES PHARMACIA & UPJOHN COMPANY (US) 2003-03-26 EP disclosed
US-20020115660-A1 Bis -arylsulfones PHARMACIA & UPJOHN COMPANY 2002-08-22 US disclosed
US-20020037892-A1 Bis-arylsulfones PHARMACIA & UPJOHN COMPANY 2002-03-28 US disclosed
WO-2001098279-A2 BIS-ARYLSULFONES PHARMACIA & UPJOHN COMPANY (US) 2001-12-27 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 (7 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-20030207866-A1 Drugs useful for the treatment of diseases or disorders of the central nervous system. PMP22, NLN, INA PDE7A 818/4885PDE7B 933/4885MAPT 204/4885
US-20020037892-A1 Bis-arylsulfones PMP22, ARSA, CLN6 PDE7A 1308/4885PDE7B 1262/4885MAPT 285/4885
US-20150218119-A1 BENZOFURAN-2-SULFONAMIDES DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CXCR2, CCR2, CCR5 PDE7A 1086/4885PDE7B 1250/4885MAPT 4609/4885
US-20020115660-A1 Bis -arylsulfones PMP22, ARSA, CLN6 PDE7A 1308/4885PDE7B 1262/4885MAPT 285/4885
US-20030225065-A1 Bis-arylsulfones PMP22, ARSA, CLN6 PDE7A 1308/4885PDE7B 1262/4885MAPT 285/4885
US-20130231338-A1 BENZOFURAN-2-SULFONAMIDES DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CXCR2, CCR2, CCR5 PDE7A 1086/4885PDE7B 1250/4885MAPT 4609/4885
US-20040014966-A1 Bis-arylsulfones NPSR1, ARSA, SLC18A2 PDE7A 704/4885PDE7B 1299/4885MAPT 1505/4885

“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.