SCHEMBL5034697

SCHEMBL5034697

N#Cc1ccc2cc(-c3cccc(O)c3)oc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.55
TYR P14679 1/20 0.53
PTGS1 P23219 1/20 0.53
PTGS2 P35354 1/20 0.53
PDE4B Q07343 1/20 0.53
PDE4D Q08499 1/20 0.53
SHBG P04278 1/20 0.50
CALCRL Q16602 2/20 0.47
CYP3A4 P08684 3/20 0.46
MAPT P10636 2/20 0.46
TNKS O95271 2/20 0.46
ALDH1A1 P00352 2/20 0.46
PARP1 P09874 2/20 0.46
HPGD P15428 2/20 0.46
TNKS2 Q9H2K2 2/20 0.46
MEN1 O00255 1/20 0.46
CYP2C9 P11712 1/20 0.46
KMT2A Q03164 1/20 0.46
TP53 P04637 1/20 0.46
GLA P06280 1/20 0.46

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
SCHEMBL5030588 0.89 ESR1 (0.50) HDAC6CYP3A4MAPTTNKSALDH1A1
SCHEMBL5034711 0.84 SHBG (0.68) TYRPTGS1PTGS2PDE4BPDE4D
SCHEMBL5030471 0.80 HDAC3 (0.57) HDAC6CYP3A4MAPTALDH1A1HPGD
SCHEMBL28302252 0.77 MAOB (0.65) HDAC6TYRPTGS1PTGS2PDE4B
SCHEMBL5034735 0.76 BCHE (0.47) HDAC6CYP2C9GLACYP1A2
SCHEMBL5032784 0.76 BCHE (0.45) HDAC6CYP2C9GLACA9PGR
SCHEMBL5028763 0.75 BCHE (0.49) HDAC6CYP2C9GLACYP1A2
SCHEMBL5034755 0.75 BCHE (0.49) HDAC6CYP2C9GLACYP1A2
SCHEMBL14784603 0.75 MAOB (0.57) TYRPTGS1PTGS2PDE4BPDE4D
SCHEMBL1029016 0.72 HSD17B1 (0.58) CYP3A4CYP2C9ARGABRA1GABRG2

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 124/4885TYR 60/4885PTGS1 3827/4885
US-20050197378-A1 Cationic substituted benzofurans as antimicrobial agents BET1, ARG2, BRDT HDAC6 124/4885TYR 60/4885PTGS1 3827/4885
US-20080221191-A1 Cationic substituted benzofurans as antimicrobial agents BET1, ARG2, BRDT HDAC6 124/4885TYR 60/4885PTGS1 3827/4885

“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.