Evans Blue Free Acid

Evans Blue Free Acid

SCHEMBL5859460

Cc1cc(-c2ccc(N=Nc3ccc4c(S(=O)(=O)O)cc(S(=O)(=O)O)c(N)c4c3O)c(C)c2)ccc1N=Nc1ccc2c(S(=O)(=O)O)cc(S(=O)(=O)O)c(N)c2c1O.[Na].[Na].[Na].[Na]

nearest known ligand 0.98

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.98
▸ KMT2A Q03164 5/20 0.98
▸ THRB P10828 5/20 0.98
▸ HPGD P15428 5/20 0.98
▸ RECQL P46063 5/20 0.98
▸ ALDH1A1 P00352 5/20 0.98
▸ CYP3A4 P08684 4/20 0.98
▸ MAPK1 P28482 4/20 0.98
▸ HSD17B10 Q99714 4/20 0.98
▸ KDM4E B2RXH2 3/20 0.98
▸ ALOX15 P16050 3/20 0.98
▸ MAPT P10636 3/20 0.98
▸ BLM P54132 3/20 0.98
▸ TP53 P04637 2/20 0.98
▸ BRCA1 P38398 2/20 0.98
▸ CYP2C9 P11712 2/20 0.98
▸ CYP2C19 P33261 2/20 0.98
▸ TSHR P16473 2/20 0.98
▸ APP P05067 2/20 0.98
▸ SNCA P37840 2/20 0.98

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
Evans Blue Free Acid SCHEMBL16572423 0.99 MEN1 (1.00) MEN1KMT2ATHRBHPGDRECQL
Evans Blue Free Acid SCHEMBL31658969 0.99 MEN1 (1.00) MEN1KMT2ATHRBHPGDRECQL
Evans Blue Free Acid SCHEMBL30337894 0.99 MEN1 (1.00) MEN1KMT2ATHRBHPGDRECQL
Evans Blue Free Acid SCHEMBL29518427 0.99 MEN1 (1.00) MEN1KMT2ATHRBHPGDRECQL
Evans Blue Free Acid SCHEMBL14533441 0.99 MEN1 (1.00) MEN1KMT2ATHRBHPGDRECQL
Evans Blue Free Acid SCHEMBL29609615 0.98 MEN1 (0.98) MEN1KMT2ATHRBHPGDRECQL
Evans Blue Free Acid SCHEMBL27659182 0.98 MEN1 (0.98) MEN1KMT2ATHRBHPGDRECQL
SCHEMBL26077509 0.95 MEN1 (0.93) MEN1KMT2ATHRBHPGDRECQL
SCHEMBL15354613 0.94 MEN1 (0.91) MEN1KMT2ATHRBHPGDRECQL
SCHEMBL30533159 0.94 MEN1 (0.91) MEN1KMT2ATHRBHPGDRECQL

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 8 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-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-6075010-A Small molecular weight ligand-hexose containing clearing agents NEORX CORPORATION (US) 2000-06-13 — — US 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 MEN1 3178/4885KMT2A 4159/4885THRB 4833/4885
US-20020115566-A1 Halogenated calixpyrroles, calixpyridinopyrroles and calixpyridines, and uses thereof CALD1, CALU, CLASP1 MEN1 4516/4885KMT2A 4131/4885THRB 2317/4885
US-20020026047-A1 Calixpyrroles, calixpyridinopyrroles, and calixpyridines CALD1, DAP3, CALR MEN1 3349/4885KMT2A 3351/4885THRB 4320/4885

“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.

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