SCHEMBL4910090

SCHEMBL4910090

COC(=O)c1ccccc1Oc1ncc(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
CCR2 P41597 2/20 0.46
CCR4 P51679 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CCR5 P51681 1/20 0.46
PIN1 Q13526 4/20 0.46
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
LMNA P02545 2/20 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
SCHEMBL4910505 0.82 CCR2 (0.48) ALDH1A1TDP1KMT2AMEN1CCR2
SCHEMBL4637188 0.82 TDP1 (0.58) ALDH1A1SMN1; SMN2TDP1KMT2AMEN1
SCHEMBL17047599 0.81 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2TDP1KMT2AMEN1
SCHEMBL4912893 0.81 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2TDP1KMT2AMEN1
SCHEMBL4907248 0.81 L3MBTL1 (0.51) ALDH1A1TDP1KMT2AMEN1CCR2
SCHEMBL4907252 0.81 TSHR (0.51) ALDH1A1SMN1; SMN2KMT2AMEN1CYP3A4
SCHEMBL4907245 0.81 TSHR (0.51) ALDH1A1SMN1; SMN2KMT2AMEN1CYP3A4
SCHEMBL4913347 0.80 MAPT (0.56) ALDH1A1SMN1; SMN2TDP1KMT2AMEN1
SCHEMBL1367920 0.80 TDP1 (0.58) ALDH1A1SMN1; SMN2TDP1KMT2AMEN1
SCHEMBL8075212 0.79 TDP1 (0.51) ALDH1A1SMN1; SMN2TDP1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3345899-B1 BENZOFURAN-2-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN INC (US) 2020-02-19 EP disclosed
EP-3345899-B1 BENZOFURAN-2-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN INC (US) 2020-02-19 EP disclosed
EP-3345899-A1 BENZOFURAN-2-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS Allergan, Inc. (US) 2018-07-11 EP disclosed
EP-3345899-A1 BENZOFURAN-2-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS Allergan, Inc. (US) 2018-07-11 EP disclosed
EP-2820010-B1 BENZOFURAN-2-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN INC (US) 2018-05-09 EP disclosed
EP-2820010-B1 BENZOFURAN-2-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN INC (US) 2018-05-09 EP disclosed
US-9416120-B2 Benzofuran-2-sulfonamides pyridine derivatives as chemokine receptor modulators ALLERGAN, INC. (US) 2016-08-16 US disclosed
US-9416120-B2 Benzofuran-2-sulfonamides pyridine derivatives as chemokine receptor modulators ALLERGAN, INC. (US) 2016-08-16 US disclosed
US-9416120-B2 Benzofuran-2-sulfonamides pyridine derivatives as chemokine receptor modulators ALLERGAN, INC. (US) 2016-08-16 US disclosed
EP-2820010-A1 BENZOFURAN- 2 - SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2015-01-07 EP disclosed
WO-2013130962-A1 BENZOFURAN- 2 - SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2013-09-06 WO disclosed
US-20130231339-A1 BENZOFURAN-2-SULFONAMIDES PYRIDINE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2013-09-05 US disclosed
US-20130231339-A1 BENZOFURAN-2-SULFONAMIDES PYRIDINE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2013-09-05 US disclosed
US-20130231339-A1 BENZOFURAN-2-SULFONAMIDES PYRIDINE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2013-09-05 US disclosed
US-20080293720-A1 Pyridinyl Sulfonamide Modulators of Chemokine Receptors GLAXO GROUP LIMITED (GB) 2008-11-27 US disclosed
US-20080293720-A1 Pyridinyl Sulfonamide Modulators of Chemokine Receptors GLAXO GROUP LIMITED (GB) 2008-11-27 US disclosed
US-20080293720-A1 Pyridinyl Sulfonamide Modulators of Chemokine Receptors GLAXO GROUP LIMITED (GB) 2008-11-27 US disclosed
EP-1962847-A2 PYRIDINYL SULFONAMIDE MODULATORS OF CHEMOKINE RECEPTORS GLAXO GROUP LIMITED (GB) 2008-09-03 EP disclosed
WO-2007067875-A2 PYRIDINYL SULFONAMIDE MODULATORS OF CHEMOKINE RECEPTORS GLAXO GROUP LIMTED (GB) 2007-06-14 WO disclosed
WO-2007067875-A2 PYRIDINYL SULFONAMIDE MODULATORS OF CHEMOKINE RECEPTORS GLAXO GROUP LIMTED (GB) 2007-06-14 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-20130231339-A1 BENZOFURAN-2-SULFONAMIDES PYRIDINE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CCR2, CXCR2, CXCR4 ALDH1A1 2064/4885SMN1; SMN2 3781/4885TDP1 4737/4885
US-20080293720-A1 Pyridinyl Sulfonamide Modulators of Chemokine Receptors CCR2, CCR1, CCRL2 ALDH1A1 1334/4885SMN1; SMN2 2031/4885TDP1 4723/4885

“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.