SCHEMBL5028084

SCHEMBL5028084

N#Cc1ccc(OCCCOc2cccc(-c3cc4cc(C#N)ccc4o3)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCHE P06276 5/20 0.45
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
MAOB P27338 7/20 0.43
MAOA P21397 5/20 0.43
ICMT O60725 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP19A1 P11511 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
PGR P06401 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
CNR1 P21554 1/20 0.38
ACHE P22303 1/20 0.38

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
SCHEMBL5030498 0.98 BCHE (0.47) BCHECYP11B1CYP11B2MAOBMAOA
SCHEMBL5030434 0.96 BCHE (0.49) BCHECYP11B1CYP11B2MAOBMAOA
SCHEMBL5030482 0.96 BCHE (0.49) BCHECYP11B1CYP11B2MAOBMAOA
SCHEMBL5032784 0.91 BCHE (0.45) BCHECYP11B1CYP11B2MAOBICMT
SCHEMBL5028099 0.89 APP (0.44) BCHECHRM2CHRM4CHRM5CHRM1
SCHEMBL5034735 0.88 BCHE (0.47) BCHECYP11B1CYP11B2MAOBMAOA
SCHEMBL5028763 0.87 BCHE (0.49) BCHECYP11B1CYP11B2MAOBICMT
SCHEMBL5034755 0.87 BCHE (0.49) BCHECYP11B1CYP11B2MAOBICMT
SCHEMBL5030436 0.86 BCHE (0.46) BCHECHRM2CHRM4CHRM5CHRM1
SCHEMBL5030544 0.85 BCHE (0.47) BCHECHRM2CHRM4CHRM5CHRM1

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 2848/4885CYP11B1 332/4885CYP11B2 345/4885
US-20050197378-A1 Cationic substituted benzofurans as antimicrobial agents BET1, ARG2, BRDT BCHE 2848/4885CYP11B1 332/4885CYP11B2 345/4885
US-20080221191-A1 Cationic substituted benzofurans as antimicrobial agents BET1, ARG2, BRDT BCHE 2848/4885CYP11B1 332/4885CYP11B2 345/4885

“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.