SCHEMBL5028049

SCHEMBL5028049

N#Cc1ccc(OCCCCCOc2ccc(-c3cc4ccc(C#N)cc4o3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.47
CNR1 P21554 1/20 0.47
ACHE P22303 1/20 0.47
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
MMP3 P08254 1/20 0.43
HRH3 Q9Y5N1 5/20 0.43
MAOB P27338 1/20 0.42
HRH2 P25021 3/20 0.42
HRH1 P35367 3/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GLA P06280 1/20 0.42
TNKS O95271 1/20 0.42
MMP2 P08253 1/20 0.42
S1PR1 P21453 1/20 0.41
S1PR3 Q99500 1/20 0.41

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
SCHEMBL5030602 1.00 BCHE (0.47) BCHECNR1ACHEHDAC1HDAC2
SCHEMBL5030514 0.99 BCHE (0.46) BCHECNR1ACHEHDAC1HDAC2
SCHEMBL5030620 0.96 HRH3 (0.43) BCHECNR1ACHEMMP3HRH3
SCHEMBL5030378 0.90 BCHE (0.47) BCHECNR1ACHEHDAC1HDAC2
SCHEMBL5030544 0.90 BCHE (0.47) BCHECNR1ACHEHDAC1HDAC2
SCHEMBL5028763 0.89 BCHE (0.49) BCHECNR1ACHEHDAC1HDAC2
SCHEMBL5034755 0.89 BCHE (0.49) BCHECNR1ACHEHDAC1HDAC2
SCHEMBL5030436 0.88 BCHE (0.46) BCHECNR1ACHEHDAC1HDAC2
SCHEMBL5034735 0.88 BCHE (0.47) BCHECNR1ACHEHDAC1HDAC2
SCHEMBL5028099 0.85 APP (0.44) BCHECNR1ACHEMMP3HRH3

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 BCHE 2848/4885CNR1 1886/4885ACHE 4387/4885
US-20050197378-A1 Cationic substituted benzofurans as antimicrobial agents BET1, ARG2, BRDT BCHE 2848/4885CNR1 1886/4885ACHE 4387/4885
US-20080221191-A1 Cationic substituted benzofurans as antimicrobial agents BET1, ARG2, BRDT BCHE 2848/4885CNR1 1886/4885ACHE 4387/4885

“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.