SCHEMBL5031445

SCHEMBL5031445

COC(=O)c1ccc2cc(-c3ccc(OC)cc3)oc2c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.58
HDAC3 O15379 1/20 0.58
HDAC1 Q13547 1/20 0.58
HDAC2 Q92769 1/20 0.58
HDAC8 Q9BY41 1/20 0.58
APP P05067 4/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
GBA1 P04062 1/20 0.52
TNKS O95271 1/20 0.51
KCNA5 P22460 1/20 0.49
KCNH2 Q12809 1/20 0.49
NR4A2 P43354 1/20 0.49
HSD11B1 P28845 1/20 0.48
MAOB P27338 1/20 0.48
EGFR P00533 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
SCHEMBL979282 0.89 APP (0.58) HDAC6APPCA1CA2TNKS
SCHEMBL978655 0.86 HDAC6 (0.68) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL5031505 0.86 HDAC6 (0.78) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL9133186 0.84 HDAC6 (0.50) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL3923815 0.84 APP (0.65) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL11826391 0.83 NR4A2 (0.58) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL6748778 0.82 APP (0.64) APPCA1TNKSKCNA5KCNH2
SCHEMBL29873464 0.82 APP (0.64) APPCA1TNKSKCNA5KCNH2
SCHEMBL6485304 0.81 TNKS (0.57) HDAC6APPTNKS
SCHEMBL18838242 0.81 HDAC6 (0.55) HDAC6HDAC3HDAC1HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1689732-A4 CATIONIC SUBSTITUTED BENZOFURANS AS ANTIMICROBIAL AGENTS UNIV NORTH CAROLINA (US) 2008-10-22 EP disclosed
US-20080221191-A1 Cationic substituted benzofurans as antimicrobial agents NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-09-11 US disclosed
US-7417158-B2 Mycobacterium tuberculosis infection; protozoan pathogens; fungal pathogens THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2008-08-26 US disclosed
US-20080114047-A1 Cationic substituted benzofurans as antimicrobial agents NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-05-15 US disclosed
EP-1689732-A2 CATIONIC SUBSTITUTED BENZOFURANS AS ANTIMICROBIAL AGENTS The University of North Carolina at Chapel Hill (US) 2006-08-16 EP disclosed
US-20050197378-A1 Cationic substituted benzofurans as antimicrobial agents TIDWELL RICHARD R (US) 2005-09-08 US disclosed
WO-2005055935-A2 CATIONIC SUBSTITUTED BENZOFURANS AS ANTIMICROBIAL AGENTS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2005-06-23 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-20080114047-A1 Cationic substituted benzofurans as antimicrobial agents BET1, ARG2, BRDT HDAC6 124/4885HDAC3 117/4885HDAC1 69/4885
US-20050197378-A1 Cationic substituted benzofurans as antimicrobial agents BET1, ARG2, BRDT HDAC6 124/4885HDAC3 117/4885HDAC1 69/4885
US-20080221191-A1 Cationic substituted benzofurans as antimicrobial agents BET1, ARG2, BRDT HDAC6 124/4885HDAC3 117/4885HDAC1 69/4885

“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.