SCHEMBL8100824

SCHEMBL8100824

O=C(O)Cn1cccc(OCc2ccccc2)c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 6/20 0.49
▸ BRD4 O60885 1/20 0.44
▸ MAPT P10636 2/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ ALPG P10696 1/20 0.44
▸ PTK2B Q14289 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ ALOX12 P18054 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ SGMS2 Q8NHU3 2/20 0.43
▸ IL1RN P18510 1/20 0.43
▸ ERAP2 Q6P179 1/20 0.43
▸ ERAP1 Q9NZ08 1/20 0.43
▸ LIPE Q05469 1/20 0.43
▸ PTGER1 P34995 1/20 0.43
▸ PTGER4 P35408 1/20 0.43
▸ PTGER3 P43115 1/20 0.43
▸ PTGER2 P43116 1/20 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
SCHEMBL20382946 0.89 MAPK14 (0.49) MAPK14BRD4MAPTALPGPTK2B
SCHEMBL20382952 0.86 MAPK14 (0.47) MAPK14BRD4KMT2AALPGPTK2B
SCHEMBL8106275 0.85 IL1RN (0.49) MAPK14BRD4MAPTALDH1A1SGMS2
SCHEMBL271730 0.83 MAPK14 (0.68) MAPK14BRD4MAPTMEN1KMT2A
SCHEMBL621806 0.83 IL1RN (0.45) MAPK14BRD4MAPTLMNASGMS2
SCHEMBL8102567 0.83 BRD4 (0.54) MAPK14BRD4MAPTALDH1A1IL1RN
SCHEMBL5861929 0.82 MAPK14 (0.73) MAPK14KMT2A
SCHEMBL619845 0.81 ALDH1A1 (0.46) MAPK14MAPTMEN1KMT2AALDH1A1
SCHEMBL8106183 0.81 KDM4E (0.51) BRD4MAPTKMT2ALMNAIL1RN
SCHEMBL620077 0.81 MAPK14 (0.41) MAPK14BRD4MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3319950-B1 VICINAL PRIMARY DIAMINES ASSOCIATED WITH METAL AND/OR FREE RADICAL CHELATION MOTIFS, AND ACTIVE AGAINST CARBONYL AND OXIDATIVE STRESS, AND USE THEREOF UNIV AMIENS PICARDIE JULES VERNE (FR) 2021-11-03 — — EP disclosed
US-10464920-B2 Vicinal primary diamines associated with metal and/or free radical chelation motifs, and active against carbonyl and oxidative stress, and use thereof INSERM (INSTITUTE NATIONAL DE LA SANTÉ ET DE LA RECHERCHE MÉDICALE (FR) 2019-11-05 — — US disclosed
US-20180201602-A1 VICINAL PRIMARY DIAMINES ASSOCIATED WITH METAL AND/OR FREE RADICAL CHELATION MOTIFS, AND ACTIVE AGAINST CARBONYL AND OXIDATIVE STRESS, AND USE THEREOF UNIVERSITE AMIENS PICARDIE JULES VERNE (FR) 2018-07-19 — — US disclosed
US-8318945-B2 Metalloprotein inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-11-27 — — US disclosed
US-20120041032-A1 METALLOPROTEIN INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA, SAN DIEGO (US) 2012-02-16 — — US disclosed
US-8008510-B2 Metalloprotein inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-08-30 — — US disclosed
US-7786316-B2 Metalloprotein inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-08-31 — — US disclosed
US-20100173952-A1 METALLOPROTEIN INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA OFFICE OF TECHNOLOGY TRANSFER (US) 2010-07-08 — — US disclosed
US-7705164-B2 Metalloprotein inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-04-27 — — US disclosed
US-20090286987-A1 METALLOPROTEIN INHIBITORS REGENTS OF THE UNIVERSITY OF CALIFORNIA, SAN DIEGO UCSD TECHNOLOGY TRANSFER OFFICE (US) 2009-11-19 — — US disclosed
US-RE35948-E TREATING TOXIC METAL CONCENTRATION BY ADMINISTERING N-SUBSTITUTED 3-HYDROXYPYRID-2-ONE OR 3-HYDROXYPYRID-4-ONE BRITISH TECHNOLOGY GROUP LTD. (GB) 1998-11-03 — — US disclosed
EP-0357150-B1 Pharmaceutical compositions BRITISH TECH GROUP (GB) 1993-12-08 — — EP disclosed
US-5104865-A IRON COMPLEXES OF HYDROXYPYRIDONES USEFUL FOR TREATING IRON OVERLOAD NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1992-04-14 — — US disclosed
EP-0138421-B1 HYDROXYPYRIDONE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1990-12-05 — — EP disclosed
US-4912118-A Therapy for toxic concentration of metal NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1990-03-27 — — US disclosed
EP-0357150-A1 Pharmaceutical compositions BTG INTERNATIONAL LIMITED (GB) 1990-03-07 — — EP disclosed
EP-0305646-A2 3-Hydroxypyrid-4-ones and pharmaceutical compositions BTG INTERNATIONAL LIMITED (GB) 1989-03-08 — — EP disclosed
US-4650793-A NITROGEN-SUBSTITUTED NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1987-03-17 — — US disclosed
US-4585780-A CHELATION OF HEAVY METALS IN BLOOD NATIONAL RESEARCH DEVELOPMENT CORP. (GB) 1986-04-29 — — US disclosed
EP-0120669-A2 Hydroxypyridones, and their pharmaceutical compositions NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1984-10-03 — — EP 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 (5 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-20090286987-A1 METALLOPROTEIN INHIBITORS SOD1, ZFX, SOD3 MAPK14 4548/4885BRD4 1373/4885MAPT 4047/4885
US-20180201602-A1 VICINAL PRIMARY DIAMINES ASSOCIATED WITH METAL AND/OR FREE RADICAL CHELATION MOTIFS, AND ACTIVE AGAINST CARBONYL AND OXIDATIVE STRESS, AND USE THEREOF CAT, GPX1, AOC1 MAPK14 2521/4885BRD4 3141/4885MAPT 2093/4885
US-20100173952-A1 METALLOPROTEIN INHIBITORS SOD1, ZFX, SOD3 MAPK14 4548/4885BRD4 1373/4885MAPT 4047/4885
US-10464920-B2 Vicinal primary diamines associated with metal and/or free radical chelation motifs, and active against carbonyl and oxidative stress, and use thereof CAT, GPX1, AOC1 MAPK14 2521/4885BRD4 3141/4885MAPT 2093/4885
US-20120041032-A1 METALLOPROTEIN INHIBITORS SOD1, ZFX, SOD3 MAPK14 4548/4885BRD4 1373/4885MAPT 4047/4885

“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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