SCHEMBL5859444

SCHEMBL5859444

O=S(=O)(O)c1cc(O)c2c(O)c(/N=N/c3ccccc3)c(S(=O)(=O)O)cc2c1.[NaH].[NaH]

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.70
PRMT1 Q99873 2/20 0.70
CYP2C9 P11712 2/20 0.69
MAPK1 P28482 2/20 0.69
DNASE1L3 Q13609 1/20 0.69
ENPP2 Q13822 7/20 0.59
PHLPP2 Q6ZVD8 1/20 0.57
KMT2A Q03164 2/20 0.49
PRMT3 O60678 1/20 0.49
EP300 Q09472 1/20 0.49
PRMT6 Q96LA8 1/20 0.49
MEN1 O00255 1/20 0.49
HTT P42858 1/20 0.49
POLB P06746 1/20 0.49
CYP2D6 P10635 1/20 0.49
SUMO2 P61956 1/20 0.48
SUMO1 P63165 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP2 Q9HC62 1/20 0.48
APEX1 P27695 1/20 0.47

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
SCHEMBL11759436 1.00 CYP1A2 (0.70) CYP1A2PRMT1CYP2C9MAPK1DNASE1L3
SCHEMBL5351119 0.99 CYP1A2 (0.71) CYP1A2PRMT1CYP2C9MAPK1DNASE1L3
SCHEMBL5351115 0.99 CYP1A2 (0.71) CYP1A2PRMT1CYP2C9MAPK1DNASE1L3
SCHEMBL9273205 0.93 PRMT1 (0.73) CYP1A2PRMT1CYP2C9MAPK1DNASE1L3
SCHEMBL11791675 0.93 PRMT1 (0.73) CYP1A2PRMT1CYP2C9MAPK1DNASE1L3
SCHEMBL9273197 0.93 PRMT1 (0.73) CYP1A2PRMT1CYP2C9MAPK1DNASE1L3
SCHEMBL2161281 0.91 PRMT1 (0.74) CYP1A2PRMT1CYP2C9MAPK1DNASE1L3
SCHEMBL3042237 0.91 PRMT1 (0.74) CYP1A2PRMT1CYP2C9MAPK1DNASE1L3
SCHEMBL29399950 0.90 PRMT1 (0.73) CYP1A2PRMT1CYP2C9MAPK1DNASE1L3
SCHEMBL186093 0.88 PHLPP2 (0.68) CYP1A2PRMT1CYP2C9MAPK1DNASE1L3

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7122572-B2 For use in Hydrogen Bonding Liquid Chromatography, environmental remediation by removal of undesired ions or neutral molecules, removal of phosphate for kidney dialysis, drug delivery, separation BOARD OF REGENTS, UNIVERSITY OF TEXAS SYSTEM (US) 2006-10-17 US disclosed
US-7041819-B2 Halogenated calixpyrroles and uses thereof BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2006-05-09 US disclosed
US-6984734-B2 Cyclo[n]pyrroles and methods thereto BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2006-01-10 US disclosed
US-20030229131-A1 Cyclo[n]pyrroles and methods thereto BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2003-12-11 US disclosed
WO-2003072581-A1 CYCLO[N]PYRROLES AND METHODS THERETO BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2003-09-04 WO disclosed
WO-2003018548-A2 HALOGENATED CALIXPYRROLES, CALIXPYRIDINOPYRROLES AND CALIXPYRIDINES, AND USES THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2003-03-06 WO disclosed
US-20020115566-A1 Halogenated calixpyrroles, calixpyridinopyrroles and calixpyridines, and uses thereof BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2002-08-22 US disclosed
US-20020026047-A1 Calixpyrroles, calixpyridinopyrroles, and calixpyridines BOARD OF REGENTS, THE 2002-02-28 US disclosed
US-6262257-B1 SELECTIVE ION- AND NEUTRAL MOLECULE-BINDING AGENTS FORMING SUPRAMOLECULAR ENSEMBLES, AND ION- AND NEUTRAL MOLECULE-SEPARATION AGENTS BOARD OF REGENTS, UNIVERSITY OF TEXAS SYSTEM 2001-07-17 US disclosed
EP-0891364-A1 CALIXPYRROLES, CALIXPYRIDINOPYRROLES AND CALIXPYRIDINES THE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1999-01-20 EP disclosed
WO-1997037995-A1 CALIXPYRROLES, CALIXPYRIDINOPYRROLES AND CALIXPYRIDINES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1997-10-16 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-20030229131-A1 Cyclo[n]pyrroles and methods thereto PPOX, QPCT, PPIE CYP1A2 1695/4885PRMT1 1070/4885CYP2C9 869/4885
US-20020115566-A1 Halogenated calixpyrroles, calixpyridinopyrroles and calixpyridines, and uses thereof CALD1, CALU, CLASP1 CYP1A2 2249/4885PRMT1 1205/4885CYP2C9 1174/4885
US-20020026047-A1 Calixpyrroles, calixpyridinopyrroles, and calixpyridines CALD1, DAP3, CALR CYP1A2 3644/4885PRMT1 303/4885CYP2C9 1753/4885

“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.