SCHEMBL3407545

SCHEMBL3407545

COC(=O)c1ccccc1Sc1ccc(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 11/20 0.60
PDE7B Q9NP56 5/20 0.60
SLC6A4 P31645 3/20 0.56
SLC6A2 P23975 2/20 0.56
SLC6A3 Q01959 2/20 0.56
POLB P06746 2/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
BCL2L1 Q07817 2/20 0.49
TDP1 Q9NUW8 2/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
PDE4B Q07343 1/20 0.48
PDE4D Q08499 1/20 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
SCHEMBL16430875 0.86 MAPT (0.58) SLC6A4SLC6A2SLC6A3POLBMEN1
SCHEMBL30610315 0.86 MAPT (0.58) SLC6A4SLC6A2SLC6A3POLBMEN1
SCHEMBL1340717 0.86 SLC6A2 (0.70) PDE7ASLC6A4SLC6A2SLC6A3POLB
SCHEMBL17080230 0.85 SLC6A4 (0.56) PDE7ASLC6A4SLC6A2SLC6A3POLB
SCHEMBL4637170 0.85 SLC6A4 (0.56) PDE7APDE7BSLC6A4SLC6A2SLC6A3
SCHEMBL3838973 0.85 SLC6A4 (0.56) PDE7APDE7BSLC6A4SLC6A2SLC6A3
SCHEMBL4636875 0.85 PDE7A (0.66) PDE7APDE7BSLC6A4SLC6A2SLC6A3
SCHEMBL17862100 0.84 MAPT (0.67) PDE7ASLC6A4SLC6A2SLC6A3POLB
SCHEMBL28230963 0.84 LMNA (0.57) SLC6A4SLC6A2SLC6A3POLBMEN1
SCHEMBL18666983 0.82 SLC6A4 (0.52) PDE7ASLC6A4SLC6A2SLC6A3POLB

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 74 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-5798350-A TRICYCLIC DIBENZ(B,F)OXEPINES AND DIBENZO(B,F)THIEPINES FOR TREATING SCHIZOPHRENIA AND ANXIETY ALLELIX BIOPHARMACEUTICALS, INC. (CA) 1998-08-25 US disclosed
US-5703072-A TREATMENT OF SCHIZOPHRENIA AND ANXIETY ALLELIX BIOPHARMACEUTICALS (CA) 1997-12-30 US disclosed
US-5674877-A TREATMENT OF PSYCHOLOGICAL DISORDERS, SCHIZOPHRENIA ALLELIX BIOPHARMACEUTICALS INC. (CA) 1997-10-07 US disclosed
EP-0797577-A1 BICYCLIC NONANE AND DECANE COMPOUNDS HAVING DOPAMINE RECEPTOR AFFINITY Allelix Biopharmaceuticals Inc. (CA) 1997-10-01 EP disclosed
EP-0736024-A1 N-HETEROBICYCLYL-PIPERAZINYL OR-PIPERADINYL TRICYCLIC DERIVATIVES USEFUL AS DOPAMINE RECEPTOR LIGANDS Allelix Biopharmaceuticals Inc. (CA) 1996-10-09 EP disclosed
US-5561127-A TREATING ANXIETY, SCHIZOPHRENIA ALLELIX BIOPHARMACEUTICALS, INC. (CA) 1996-10-01 US disclosed
US-5538965-A TREATMENT OF PSYCHOLOGICAL DISORDERS SUCH AS SCHIZOPHRENIA AND ANXIETY ALLELIX BIOPHARMACEUTICALS INC. (CA) 1996-07-23 US disclosed
WO-1996019479-A1 MUSCARINIC RECEPTOR LIGANDS ALLELIX BIOPHARMACEUTICALS INC. (US) 1996-06-27 WO disclosed
WO-1996018630-A1 BICYCLIC NONANE AND DECANE COMPOUNDS HAVING DOPAMINE RECEPTOR AFFINITY ALLELIX BIOPHARMACEUTICALS INC. (CA) 1996-06-20 WO disclosed
WO-1995017400-A1 N-HETEROBICYCLYL-PIPERAZINYL OR-PIPERADINYL TRICYCLIC DERIVATIVES USEFUL AS DOPAMINE RECEPTOR LIGANDS ALLELIX BIOPHARMACEUTICALS INC. (CA) 1995-06-29 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 (1 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-20150218119-A1 BENZOFURAN-2-SULFONAMIDES DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CXCR2, CCR2, CCR5 PDE7A 1086/4885PDE7B 1250/4885SLC6A4 1406/4885

“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.